[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate

C16H14ClNO3 — CID 4178891

IUPAC[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-11(19)21-15-8-4-13(5-9-15)16(20)18-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyVQVRMGZJCMRAHF-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.20
Rot. Bonds4

About [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate

[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate (PubChem CID 4178891) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
PubChem CID4178891
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-11(19)21-15-8-4-13(5-9-15)16(20)18-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyVQVRMGZJCMRAHF-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
(4-chlorophenyl) acetate
CID 13410
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
4-[[(3,5-diacetyloxybenzoyl)amino]methyl]benzoic acid
CID 2976254
[3-[[3-[[(4-chlorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928977
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate?
The IUPAC name of [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate (CID 4178891) is [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate?
The InChIKey is VQVRMGZJCMRAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11(19)21-15-8-4-13(5-9-15)16(20)18-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate?
[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate has a molecular weight of 303.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 4178891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).