N-(3-aminobenzoyl)-2-chlorobenzamide

C14H11ClN2O2 — CID 91252529

IUPACN-(3-aminobenzoyl)-2-chlorobenzamide
SMILESNc1cccc(C(=O)NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H11ClN2O2/c15-12-7-2-1-6-11(12)14(19)17-13(18)9-4-3-5-10(16)8-9/h1-8H,16H2,(H,17,18,19)
InChIKeyZHEDLMPOIQGCAB-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.49
Rot. Bonds2

About N-(3-aminobenzoyl)-2-chlorobenzamide

N-(3-aminobenzoyl)-2-chlorobenzamide (PubChem CID 91252529) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(3-aminobenzoyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-aminobenzoyl)-2-chlorobenzamide
PubChem CID91252529
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC NameN-(3-aminobenzoyl)-2-chlorobenzamide
SMILESNc1cccc(C(=O)NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H11ClN2O2/c15-12-7-2-1-6-11(12)14(19)17-13(18)9-4-3-5-10(16)8-9/h1-8H,16H2,(H,17,18,19)
InChIKeyZHEDLMPOIQGCAB-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
CID 43707245
3-amino-N-methylbenzamide;2-methylbenzamide
CID 161133273
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
N-carbamothioyl-2-chlorobenzamide
CID 3909253
2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 76823927
3-aminobenzoic acid;azane
CID 159954068
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935
(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 155817922

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobenzoyl)-2-chlorobenzamide?
The IUPAC name of N-(3-aminobenzoyl)-2-chlorobenzamide (CID 91252529) is N-(3-aminobenzoyl)-2-chlorobenzamide.
What is the SMILES notation for N-(3-aminobenzoyl)-2-chlorobenzamide?
The canonical SMILES for N-(3-aminobenzoyl)-2-chlorobenzamide is Nc1cccc(C(=O)NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-(3-aminobenzoyl)-2-chlorobenzamide?
The InChIKey is ZHEDLMPOIQGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-12-7-2-1-6-11(12)14(19)17-13(18)9-4-3-5-10(16)8-9/h1-8H,16H2,(H,17,18,19).
What are the key properties of N-(3-aminobenzoyl)-2-chlorobenzamide?
N-(3-aminobenzoyl)-2-chlorobenzamide has a molecular weight of 274.71 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobenzoyl)-2-chlorobenzamide is sourced from PubChem (CID 91252529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).