N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide

C16H24ClN3O2 — CID 11484196

IUPACN-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O2/c1-2-3-4-5-9-15(21)18-10-11-19-16(22)20-14-8-6-7-13(17)12-14/h6-8,12H,2-5,9-11H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyLZNWQXDKPPGHGC-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.55
Rot. Bonds9

About N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide

N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide (PubChem CID 11484196) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide
PubChem CID11484196
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O2/c1-2-3-4-5-9-15(21)18-10-11-19-16(22)20-14-8-6-7-13(17)12-14/h6-8,12H,2-5,9-11H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyLZNWQXDKPPGHGC-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

1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
3-(3-Chlorophenyl)-1,1-diethylurea
CID 567779
1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783424
N-(4-chlorophenyl)-N'-(2-oxoazepan-3-yl)urea
CID 2805571
3-(3-Chlorophenyl)-1,1-diisopropylurea
CID 764705
2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide
CID 47133353
N-(3,5-Dichlorophenyl)-2-[[[(1-methylethyl)amino]carbonyl]amino]acetamide
CID 113001370
N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4976766
1-(4-Chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
CID 6621466
1-(3-Chloro-phenyl)-3-(4-oxo-decyl)-urea
CID 11186401
4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl ester
CID 11381825
1-(4-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783215

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide?
The IUPAC name of N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide (CID 11484196) is N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide is CCCCCCC(=O)NCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide?
The InChIKey is LZNWQXDKPPGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-2-3-4-5-9-15(21)18-10-11-19-16(22)20-14-8-6-7-13(17)12-14/h6-8,12H,2-5,9-11H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide?
N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide 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 N-[2-[(3-chlorophenyl)carbamoylamino]ethyl]heptanamide is sourced from PubChem (CID 11484196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).