5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide

C13H18ClN3O2 — CID 47114643

IUPAC5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCCCNC(N)=O
InChIInChI=1S/C13H18ClN3O2/c1-9-8-10(14)5-6-11(9)17-12(18)4-2-3-7-16-13(15)19/h5-6,8H,2-4,7H2,1H3,(H,17,18)(H3,15,16,19)
InChIKeyDZIYKEVVQYKCPQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.43
Rot. Bonds6

About 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide

5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide (PubChem CID 47114643) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide
PubChem CID47114643
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCCCNC(N)=O
InChIInChI=1S/C13H18ClN3O2/c1-9-8-10(14)5-6-11(9)17-12(18)4-2-3-7-16-13(15)19/h5-6,8H,2-4,7H2,1H3,(H,17,18)(H3,15,16,19)
InChIKeyDZIYKEVVQYKCPQ-UHFFFAOYSA-N
XLogP2.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.43
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-(4-chloro-2-methylphenyl)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-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
N-(4-bromo-3-methylphenyl)-5-(carbamoylamino)pentanamide
CID 29206931
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide (CID 47114643) is 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide is Cc1cc(Cl)ccc1NC(=O)CCCCNC(N)=O.
What is the InChIKey of 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide?
The InChIKey is DZIYKEVVQYKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-8-10(14)5-6-11(9)17-12(18)4-2-3-7-16-13(15)19/h5-6,8H,2-4,7H2,1H3,(H,17,18)(H3,15,16,19).
What are the key properties of 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide?
5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide has a molecular weight of 283.76 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide is sourced from PubChem (CID 47114643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).