N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide

C18H19ClN2O2 — CID 975522

IUPACN-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-5-17(22)20-15-6-3-4-7-16(15)21-18(23)12-13-8-10-14(19)11-9-13/h3-4,6-11H,2,5,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyBQALVDANHALRBF-UHFFFAOYSA-N
MW330.81 g/mol
LogP4.26
Rot. Bonds6

About N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide

N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide (PubChem CID 975522) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide
PubChem CID975522
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-5-17(22)20-15-6-3-4-7-16(15)21-18(23)12-13-8-10-14(19)11-9-13/h3-4,6-11H,2,5,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyBQALVDANHALRBF-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide 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-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
N-(2-fluorophenyl)butanamide
CID 849021
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate
CID 22306821
N-(2-bromophenyl)butanamide
CID 732405
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide (CID 975522) is N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccccc1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide?
The InChIKey is BQALVDANHALRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-2-5-17(22)20-15-6-3-4-7-16(15)21-18(23)12-13-8-10-14(19)11-9-13/h3-4,6-11H,2,5,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide?
N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide has a molecular weight of 330.81 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 975522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).