2-(7-chloroheptanoylamino)benzamide

C14H19ClN2O2 — CID 139930503

IUPAC2-(7-chloroheptanoylamino)benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCCCCCCl
InChIInChI=1S/C14H19ClN2O2/c15-10-6-2-1-3-9-13(18)17-12-8-5-4-7-11(12)14(16)19/h4-5,7-8H,1-3,6,9-10H2,(H2,16,19)(H,17,18)
InChIKeyYKUSNAVDVSRUSP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.91
Rot. Bonds8

About 2-(7-chloroheptanoylamino)benzamide

2-(7-chloroheptanoylamino)benzamide (PubChem CID 139930503) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(7-chloroheptanoylamino)benzamide.

Molecular Properties

Compound Name2-(7-chloroheptanoylamino)benzamide
PubChem CID139930503
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(7-chloroheptanoylamino)benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCCCCCCl
InChIInChI=1S/C14H19ClN2O2/c15-10-6-2-1-3-9-13(18)17-12-8-5-4-7-11(12)14(16)19/h4-5,7-8H,1-3,6,9-10H2,(H2,16,19)(H,17,18)
InChIKeyYKUSNAVDVSRUSP-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloropentanoylamino)benzoic acid
CID 61251047
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
CID 110676330
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
CID 43700341
2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
CID 2219826
2-(hexacosanoylamino)benzoic acid
CID 123304158

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroheptanoylamino)benzamide?
The IUPAC name of 2-(7-chloroheptanoylamino)benzamide (CID 139930503) is 2-(7-chloroheptanoylamino)benzamide.
What is the SMILES notation for 2-(7-chloroheptanoylamino)benzamide?
The canonical SMILES for 2-(7-chloroheptanoylamino)benzamide is NC(=O)c1ccccc1NC(=O)CCCCCCCl.
What is the InChIKey of 2-(7-chloroheptanoylamino)benzamide?
The InChIKey is YKUSNAVDVSRUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-10-6-2-1-3-9-13(18)17-12-8-5-4-7-11(12)14(16)19/h4-5,7-8H,1-3,6,9-10H2,(H2,16,19)(H,17,18).
What are the key properties of 2-(7-chloroheptanoylamino)benzamide?
2-(7-chloroheptanoylamino)benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroheptanoylamino)benzamide is sourced from PubChem (CID 139930503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).