N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide

C19H21ClN2O3 — CID 110285273

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c20-16-10-8-15(9-11-16)13-21-19(24)14-22-18(23)7-4-12-25-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,24)(H,22,23)
InChIKeyPXLBARHDEIDAHM-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.93
Rot. Bonds9

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide (PubChem CID 110285273) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
PubChem CID110285273
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c20-16-10-8-15(9-11-16)13-21-19(24)14-22-18(23)7-4-12-25-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,24)(H,22,23)
InChIKeyPXLBARHDEIDAHM-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide 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-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenoxybutanamide
CID 86968573
4-(2-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]butanamide
CID 110625400
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
CID 119773408
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305545
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide (CID 110285273) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide?
The InChIKey is PXLBARHDEIDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-16-10-8-15(9-11-16)13-21-19(24)14-22-18(23)7-4-12-25-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide has a molecular weight of 360.84 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110285273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).