4-chloro-N-phenylmethoxybenzamide

C14H12ClNO2 — CID 4990600

IUPAC4-chloro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyPNKOSOQJFJTGGO-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-N-phenylmethoxybenzamide

4-chloro-N-phenylmethoxybenzamide (PubChem CID 4990600) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-phenylmethoxybenzamide
PubChem CID4990600
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name4-chloro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyPNKOSOQJFJTGGO-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzoyl-O-benzylhydroxylamine
CID 252925
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
(4-methylphenyl)-N-[(4-methylphenyl)methoxy]carboxamide
CID 4776030
N-(benzyloxy)-2,4-dichlorobenzamide
CID 11460648
4-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 19581648
Dibenzhydroxamic acid
CID 94873
N-(2-bromobenzoyloxy)-4-chlorobenzamide
CID 1348789
3-N-[(2,4-dichlorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide
CID 164618601
2-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 5243837
4-chloro-N'-[(4-chlorobenzoyl)oxy]benzenecarboximidamide
CID 9567277
[(3,4-Dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate
CID 2804334
N-benzyloxy-4-fluoro-benzamide
CID 9227227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenylmethoxybenzamide?
The IUPAC name of 4-chloro-N-phenylmethoxybenzamide (CID 4990600) is 4-chloro-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-chloro-N-phenylmethoxybenzamide?
The canonical SMILES for 4-chloro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-phenylmethoxybenzamide?
The InChIKey is PNKOSOQJFJTGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17).
What are the key properties of 4-chloro-N-phenylmethoxybenzamide?
4-chloro-N-phenylmethoxybenzamide has a molecular weight of 261.71 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenylmethoxybenzamide is sourced from PubChem (CID 4990600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).