2-[(4-chlorobenzoyl)amino]ethylcarbamic acid

C10H11ClN2O3 — CID 19741762

IUPAC2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c11-8-3-1-7(2-4-8)9(14)12-5-6-13-10(15)16/h1-4,13H,5-6H2,(H,12,14)(H,15,16)
InChIKeyJJFMHZOXMMDEKG-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.34
Rot. Bonds4

About 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid

2-[(4-chlorobenzoyl)amino]ethylcarbamic acid (PubChem CID 19741762) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
PubChem CID19741762
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c11-8-3-1-7(2-4-8)9(14)12-5-6-13-10(15)16/h1-4,13H,5-6H2,(H,12,14)(H,15,16)
InChIKeyJJFMHZOXMMDEKG-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 3082615
2-[(4-chlorobenzoyl)amino]ethylazanium chloride
CID 43834591
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide
CID 78895454
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid (CID 19741762) is 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid is O=C(O)NCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid?
The InChIKey is JJFMHZOXMMDEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-3-1-7(2-4-8)9(14)12-5-6-13-10(15)16/h1-4,13H,5-6H2,(H,12,14)(H,15,16).
What are the key properties of 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid?
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid has a molecular weight of 242.66 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]ethylcarbamic acid is sourced from PubChem (CID 19741762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).