2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide

C22H26Cl2N2O3 — CID 132671217

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2N2O3/c1-4-20(22(28)25-15(2)3)26(13-16-7-5-6-8-19(16)24)21(27)14-29-18-11-9-17(23)10-12-18/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28)
InChIKeyQECPNXMRANRILJ-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.70
Rot. Bonds9

About 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide

2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide (PubChem CID 132671217) has the molecular formula C22H26Cl2N2O3 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
PubChem CID132671217
Molecular FormulaC22H26Cl2N2O3
Molecular Weight437.37 g/mol
Exact Mass436.13
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2N2O3/c1-4-20(22(28)25-15(2)3)26(13-16-7-5-6-8-19(16)24)21(27)14-29-18-11-9-17(23)10-12-18/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28)
InChIKeyQECPNXMRANRILJ-UHFFFAOYSA-N
XLogP4.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide 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

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100688005
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]propanamide
CID 100550069
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 100735357
2-[(2-methylphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132667531
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132669149
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697483
2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132662001
2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylbutanamide
CID 132657630
(2R)-2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676235
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132712641
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methylbutanamide
CID 132659708
(2R)-2-[benzyl-[2-(4-chlorophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100640525

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide (CID 132671217) is 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is QECPNXMRANRILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3/c1-4-20(22(28)25-15(2)3)26(13-16-7-5-6-8-19(16)24)21(27)14-29-18-11-9-17(23)10-12-18/h5-12,15,20H,4,13-14H2,1-3H3,(H,25,28).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide?
2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 437.37 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132671217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).