4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide

C23H28ClN3O3 — CID 112789965

IUPAC4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C(CNC(=O)C(C)NC(=O)c2ccc(Cl)cc2)N2CCCC2)cc1
InChIInChI=1S/C23H28ClN3O3/c1-16(26-23(29)18-5-9-19(24)10-6-18)22(28)25-15-21(27-13-3-4-14-27)17-7-11-20(30-2)12-8-17/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyKBINNWKWFWILPJ-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.42
Rot. Bonds8

About 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 112789965) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID112789965
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C(CNC(=O)C(C)NC(=O)c2ccc(Cl)cc2)N2CCCC2)cc1
InChIInChI=1S/C23H28ClN3O3/c1-16(26-23(29)18-5-9-19(24)10-6-18)22(28)25-15-21(27-13-3-4-14-27)17-7-11-20(30-2)12-8-17/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyKBINNWKWFWILPJ-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide 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

N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 55740277
N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016694
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
4-fluoro-N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43006594
4-tert-butyl-N-[1-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 112767398
4-chloro-N-[1-oxo-1-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propan-2-yl]benzamide
CID 112765121
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110825339
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide (CID 112789965) is 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide is COc1ccc(C(CNC(=O)C(C)NC(=O)c2ccc(Cl)cc2)N2CCCC2)cc1.
What is the InChIKey of 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is KBINNWKWFWILPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-16(26-23(29)18-5-9-19(24)10-6-18)22(28)25-15-21(27-13-3-4-14-27)17-7-11-20(30-2)12-8-17/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 429.95 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 112789965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).