2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate

C21H16NO4- — CID 7033170

IUPAC2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H17NO4/c23-20(18-8-4-5-9-19(18)21(24)25)22-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)(H,24,25)/p-1
InChIKeyINHJENBPAUBZII-UHFFFAOYSA-M
MW346.36 g/mol
LogP2.88
Rot. Bonds6

About 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate

2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate (PubChem CID 7033170) has the molecular formula C21H16NO4- and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
PubChem CID7033170
Molecular FormulaC21H16NO4-
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H17NO4/c23-20(18-8-4-5-9-19(18)21(24)25)22-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)(H,24,25)/p-1
InChIKeyINHJENBPAUBZII-UHFFFAOYSA-M
XLogP2.88
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
trisodium;2-[[4-(phosphonatomethyl)phenyl]carbamoyl]benzoate
CID 59817031
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
CID 9034683
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate?
The IUPAC name of 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate (CID 7033170) is 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate?
The canonical SMILES for 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate is O=C([O-])c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate?
The InChIKey is INHJENBPAUBZII-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17NO4/c23-20(18-8-4-5-9-19(18)21(24)25)22-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)(H,24,25)/p-1.
What are the key properties of 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate?
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate has a molecular weight of 346.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate is sourced from PubChem (CID 7033170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).