5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide

C13H18ClN3O2 — CID 9209918

IUPAC5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
SMILESNC(=O)NCCCCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c14-11-5-3-4-10(8-11)9-17-12(18)6-1-2-7-16-13(15)19/h3-5,8H,1-2,6-7,9H2,(H,17,18)(H3,15,16,19)
InChIKeyFJAYWSKTVMYDBE-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.79
Rot. Bonds7

About 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide

5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide (PubChem CID 9209918) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
PubChem CID9209918
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
SMILESNC(=O)NCCCCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c14-11-5-3-4-10(8-11)9-17-12(18)6-1-2-7-16-13(15)19/h3-5,8H,1-2,6-7,9H2,(H,17,18)(H3,15,16,19)
InChIKeyFJAYWSKTVMYDBE-UHFFFAOYSA-N
XLogP1.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide 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-[(3-chlorophenyl)methyl]butanamide
CID 17071148
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205641
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
CID 60602251
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
tert-butyl N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]carbamate
CID 9209944
4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 7959313
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide (CID 9209918) is 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide is NC(=O)NCCCCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide?
The InChIKey is FJAYWSKTVMYDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-11-5-3-4-10(8-11)9-17-12(18)6-1-2-7-16-13(15)19/h3-5,8H,1-2,6-7,9H2,(H,17,18)(H3,15,16,19).
What are the key properties of 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide?
5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide has a molecular weight of 283.76 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide is sourced from PubChem (CID 9209918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).