N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride

C15H23Cl2N3O2 — CID 119707605

IUPACN-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)CCCCCCN)c1.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-11(20)18-12-7-8-13(16)14(10-12)19-15(21)6-4-2-3-5-9-17;/h7-8,10H,2-6,9,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyFHFLJKABSBIZGU-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.57
Rot. Bonds8

About N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride

N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride (PubChem CID 119707605) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
PubChem CID119707605
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC NameN-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)CCCCCCN)c1.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-11(20)18-12-7-8-13(16)14(10-12)19-15(21)6-4-2-3-5-9-17;/h7-8,10H,2-6,9,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyFHFLJKABSBIZGU-UHFFFAOYSA-N
XLogP3.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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6-amino-N-(2,5-dichlorophenyl)hexanamide
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N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
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CID 119262031
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CID 82034391
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
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3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
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6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride (CID 119707605) is N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride is CC(=O)Nc1ccc(Cl)c(NC(=O)CCCCCCN)c1.Cl.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride?
The InChIKey is FHFLJKABSBIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2.ClH/c1-11(20)18-12-7-8-13(16)14(10-12)19-15(21)6-4-2-3-5-9-17;/h7-8,10H,2-6,9,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride?
N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride has a molecular weight of 348.27 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride is sourced from PubChem (CID 119707605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).