4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide

C16H24ClN3O2 — CID 11771739

IUPAC4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O2/c1-2-3-4-10-18-15(21)9-6-11-19-16(22)20-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyGUDSECAQNJNHGI-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.55
Rot. Bonds9

About 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide

4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide (PubChem CID 11771739) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide
PubChem CID11771739
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O2/c1-2-3-4-10-18-15(21)9-6-11-19-16(22)20-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyGUDSECAQNJNHGI-UHFFFAOYSA-N
XLogP3.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Monuron
CID 8800
Monomethylmonuron
CID 79309
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N-(3-Chlorophenyl)-1-pyrrolidinecarboxamide
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3-(3-Chlorophenyl)-1-ethyl-1-phenylurea
CID 294985
3-(3,5-Dichlorophenyl)-1,1-dimethylurea
CID 551927
3-(3-Chlorophenyl)-1,1-diethylurea
CID 567779
1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
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CID 49783424

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide?
The IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide (CID 11771739) is 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide.
What is the SMILES notation for 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide?
The canonical SMILES for 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide is CCCCCNC(=O)CCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide?
The InChIKey is GUDSECAQNJNHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-2-3-4-10-18-15(21)9-6-11-19-16(22)20-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide?
4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide has a molecular weight of 325.84 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)carbamoylamino]-N-pentylbutanamide is sourced from PubChem (CID 11771739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).