2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide

C29H35Cl2N3O3 — CID 4040674

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(Cc1cccn1Cc1ccccc1Cl)C(=O)CN(C(=O)COc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C29H35Cl2N3O3/c1-21(2)16-33(18-25-9-7-15-32(25)17-23-8-5-6-10-27(23)31)28(35)19-34(22(3)4)29(36)20-37-26-13-11-24(30)12-14-26/h5-15,21-22H,16-20H2,1-4H3
InChIKeyAOPRTZUNFSQLOO-UHFFFAOYSA-N
MW544.52 g/mol
LogP6.14
Rot. Bonds12

About 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide

2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide (PubChem CID 4040674) has the molecular formula C29H35Cl2N3O3 and a molecular weight of 544.52 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
PubChem CID4040674
Molecular FormulaC29H35Cl2N3O3
Molecular Weight544.52 g/mol
Exact Mass543.21
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(Cc1cccn1Cc1ccccc1Cl)C(=O)CN(C(=O)COc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C29H35Cl2N3O3/c1-21(2)16-33(18-25-9-7-15-32(25)17-23-8-5-6-10-27(23)31)28(35)19-34(22(3)4)29(36)20-37-26-13-11-24(30)12-14-26/h5-15,21-22H,16-20H2,1-4H3
InChIKeyAOPRTZUNFSQLOO-UHFFFAOYSA-N
XLogP6.14
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.52
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4649921
2-[(4-chlorophenyl)carbamoyl-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 3300886
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-[dimethylcarbamoyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 3613982
2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4691678
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-2-oxoethyl]-3-methoxy-N-propan-2-ylbenzamide
CID 5128947
3-bromo-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4004556
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide
CID 5029187
2,2-dichloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4020577
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-[3-ethoxypropyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide
CID 3432571
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 4575195
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 4023093
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-phenoxy-N-prop-2-enylacetamide
CID 5030619

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide (CID 4040674) is 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide is CC(C)CN(Cc1cccn1Cc1ccccc1Cl)C(=O)CN(C(=O)COc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
The InChIKey is AOPRTZUNFSQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35Cl2N3O3/c1-21(2)16-33(18-25-9-7-15-32(25)17-23-8-5-6-10-27(23)31)28(35)19-34(22(3)4)29(36)20-37-26-13-11-24(30)12-14-26/h5-15,21-22H,16-20H2,1-4H3.
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide has a molecular weight of 544.52 g/mol, XLogP of 6.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4040674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).