propyl 2-[(4-chlorophenyl)carbamoyl]benzoate

C17H16ClNO3 — CID 71387076

IUPACpropyl 2-[(4-chlorophenyl)carbamoyl]benzoate
SMILESCCCOC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-2-11-22-17(21)15-6-4-3-5-14(15)16(20)19-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeySBOVJSDEPKBYAO-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.16
Rot. Bonds5

About propyl 2-[(4-chlorophenyl)carbamoyl]benzoate

propyl 2-[(4-chlorophenyl)carbamoyl]benzoate (PubChem CID 71387076) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is propyl 2-[(4-chlorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namepropyl 2-[(4-chlorophenyl)carbamoyl]benzoate
PubChem CID71387076
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Namepropyl 2-[(4-chlorophenyl)carbamoyl]benzoate
SMILESCCCOC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-2-11-22-17(21)15-6-4-3-5-14(15)16(20)19-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeySBOVJSDEPKBYAO-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

decyl 2-[[4-[(2-decoxycarbonylbenzoyl)amino]phenyl]carbamoyl]benzoate;bis(prop-1-yne)
CID 159227146
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
methyl 2-amino-3-[(4-chlorophenyl)carbamoyl]benzoate
CID 69478568
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
CID 23938061
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(4-chlorophenyl)carbamoyl]benzoate?
The IUPAC name of propyl 2-[(4-chlorophenyl)carbamoyl]benzoate (CID 71387076) is propyl 2-[(4-chlorophenyl)carbamoyl]benzoate.
What is the SMILES notation for propyl 2-[(4-chlorophenyl)carbamoyl]benzoate?
The canonical SMILES for propyl 2-[(4-chlorophenyl)carbamoyl]benzoate is CCCOC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of propyl 2-[(4-chlorophenyl)carbamoyl]benzoate?
The InChIKey is SBOVJSDEPKBYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-2-11-22-17(21)15-6-4-3-5-14(15)16(20)19-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of propyl 2-[(4-chlorophenyl)carbamoyl]benzoate?
propyl 2-[(4-chlorophenyl)carbamoyl]benzoate has a molecular weight of 317.77 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(4-chlorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 71387076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).