(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid

C15H11ClN2O4 — CID 57361745

IUPAC(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid
SMILESO=C(NC(=O)N(C(=O)O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O4/c16-11-8-6-10(7-9-11)13(19)17-14(20)18(15(21)22)12-4-2-1-3-5-12/h1-9H,(H,21,22)(H,17,19,20)
InChIKeyCDFRIKPNOFHALZ-UHFFFAOYSA-N
MW318.72 g/mol
LogP3.37
Rot. Bonds2

About (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid

(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid (PubChem CID 57361745) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid.

Molecular Properties

Compound Name(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid
PubChem CID57361745
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC Name(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid
SMILESO=C(NC(=O)N(C(=O)O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O4/c16-11-8-6-10(7-9-11)13(19)17-14(20)18(15(21)22)12-4-2-1-3-5-12/h1-9H,(H,21,22)(H,17,19,20)
InChIKeyCDFRIKPNOFHALZ-UHFFFAOYSA-N
XLogP3.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-acetyl-4-chlorobenzamide
CID 11735747
4-chloro-N-(phenacylcarbamothioyl)benzamide
CID 2294592
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium
CID 54733099
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylacetyl]benzamide
CID 22872207
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
CID 126958406
[(E)-[[(4-chlorobenzoyl)amino]-phenylmethylidene]amino]-trimethylazanium
CID 13104092
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
4-chloro-N-nitroso-N-phenylbenzamide
CID 134880089
[(4-chlorobenzoyl)amino]-phenylazanium
CID 3649711

Frequently Asked Questions

What is the IUPAC name of (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid?
The IUPAC name of (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid (CID 57361745) is (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid.
What is the SMILES notation for (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid?
The canonical SMILES for (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid is O=C(NC(=O)N(C(=O)O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid?
The InChIKey is CDFRIKPNOFHALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/c16-11-8-6-10(7-9-11)13(19)17-14(20)18(15(21)22)12-4-2-1-3-5-12/h1-9H,(H,21,22)(H,17,19,20).
What are the key properties of (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid?
(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid has a molecular weight of 318.72 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorobenzoyl)carbamoyl-phenylcarbamic acid is sourced from PubChem (CID 57361745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).