7-amino-N-[(4-chlorophenyl)methyl]heptanamide

C14H21ClN2O — CID 28738770

IUPAC7-amino-N-[(4-chlorophenyl)methyl]heptanamide
SMILESNCCCCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c15-13-8-6-12(7-9-13)11-17-14(18)5-3-1-2-4-10-16/h6-9H,1-5,10-11,16H2,(H,17,18)
InChIKeyLQJBSDUNIOBVKD-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.87
Rot. Bonds8

About 7-amino-N-[(4-chlorophenyl)methyl]heptanamide

7-amino-N-[(4-chlorophenyl)methyl]heptanamide (PubChem CID 28738770) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 7-amino-N-[(4-chlorophenyl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(4-chlorophenyl)methyl]heptanamide
PubChem CID28738770
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name7-amino-N-[(4-chlorophenyl)methyl]heptanamide
SMILESNCCCCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c15-13-8-6-12(7-9-13)11-17-14(18)5-3-1-2-4-10-16/h6-9H,1-5,10-11,16H2,(H,17,18)
InChIKeyLQJBSDUNIOBVKD-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride
CID 119725132
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-chlorophenyl)methyl]heptanamide?
The IUPAC name of 7-amino-N-[(4-chlorophenyl)methyl]heptanamide (CID 28738770) is 7-amino-N-[(4-chlorophenyl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(4-chlorophenyl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-[(4-chlorophenyl)methyl]heptanamide is NCCCCCCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 7-amino-N-[(4-chlorophenyl)methyl]heptanamide?
The InChIKey is LQJBSDUNIOBVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-13-8-6-12(7-9-13)11-17-14(18)5-3-1-2-4-10-16/h6-9H,1-5,10-11,16H2,(H,17,18).
What are the key properties of 7-amino-N-[(4-chlorophenyl)methyl]heptanamide?
7-amino-N-[(4-chlorophenyl)methyl]heptanamide has a molecular weight of 268.79 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-chlorophenyl)methyl]heptanamide is sourced from PubChem (CID 28738770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).