[(4-chlorobenzoyl)amino]-phenylazanium

C13H12ClN2O+ — CID 3649711

IUPAC[(4-chlorobenzoyl)amino]-phenylazanium
SMILESO=C(N[NH2+]c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17)/p+1
InChIKeyFHLLMNAAJMLCIX-UHFFFAOYSA-O
MW247.71 g/mol
LogP1.88
Rot. Bonds3

About [(4-chlorobenzoyl)amino]-phenylazanium

[(4-chlorobenzoyl)amino]-phenylazanium (PubChem CID 3649711) has the molecular formula C13H12ClN2O+ and a molecular weight of 247.71 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino]-phenylazanium.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino]-phenylazanium
PubChem CID3649711
Molecular FormulaC13H12ClN2O+
Molecular Weight247.71 g/mol
Exact Mass247.06
IUPAC Name[(4-chlorobenzoyl)amino]-phenylazanium
SMILESO=C(N[NH2+]c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17)/p+1
InChIKeyFHLLMNAAJMLCIX-UHFFFAOYSA-O
XLogP1.88
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride
CID 18531718
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
CID 15497672
4-chloro-N-hydroxybenzamide
CID 587178
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid
CID 57361745
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495

Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino]-phenylazanium?
The IUPAC name of [(4-chlorobenzoyl)amino]-phenylazanium (CID 3649711) is [(4-chlorobenzoyl)amino]-phenylazanium.
What is the SMILES notation for [(4-chlorobenzoyl)amino]-phenylazanium?
The canonical SMILES for [(4-chlorobenzoyl)amino]-phenylazanium is O=C(N[NH2+]c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino]-phenylazanium?
The InChIKey is FHLLMNAAJMLCIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11ClN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17)/p+1.
What are the key properties of [(4-chlorobenzoyl)amino]-phenylazanium?
[(4-chlorobenzoyl)amino]-phenylazanium has a molecular weight of 247.71 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino]-phenylazanium is sourced from PubChem (CID 3649711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).