benzene;(2-carbamoylphenyl)methyl formate

C15H15NO3 — CID 174940813

IUPACbenzene;(2-carbamoylphenyl)methyl formate
SMILESNC(=O)c1ccccc1COC=O.c1ccccc1
InChIInChI=1S/C9H9NO3.C6H6/c10-9(12)8-4-2-1-3-7(8)5-13-6-11;1-2-4-6-5-3-1/h1-4,6H,5H2,(H2,10,12);1-6H
InChIKeyDXVJJRYHUJXCJC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.15
Rot. Bonds4

About benzene;(2-carbamoylphenyl)methyl formate

benzene;(2-carbamoylphenyl)methyl formate (PubChem CID 174940813) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is benzene;(2-carbamoylphenyl)methyl formate.

Molecular Properties

Compound Namebenzene;(2-carbamoylphenyl)methyl formate
PubChem CID174940813
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namebenzene;(2-carbamoylphenyl)methyl formate
SMILESNC(=O)c1ccccc1COC=O.c1ccccc1
InChIInChI=1S/C9H9NO3.C6H6/c10-9(12)8-4-2-1-3-7(8)5-13-6-11;1-2-4-6-5-3-1/h1-4,6H,5H2,(H2,10,12);1-6H
InChIKeyDXVJJRYHUJXCJC-UHFFFAOYSA-N
XLogP2.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dibromomethoxymethyl)benzamide
CID 142794227
2-(2-phenylethoxymethyl)benzamide
CID 173153256
2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
CID 24694851
2-[(benzylamino)methyl]benzamide
CID 22341819
(2-sulfanylphenyl)methyl formate
CID 59818998
benzene;2-hydroxybenzamide
CID 157085280
2-(azetidin-3-yloxymethyl)benzamide
CID 63106815
2-(2-phenoxyethyl)benzamide
CID 68945309
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
2-[2-(sulfanyloxymethyl)phenyl]benzamide
CID 145031545
(2-prop-2-enylphenyl)methyl formate
CID 173226102

Frequently Asked Questions

What is the IUPAC name of benzene;(2-carbamoylphenyl)methyl formate?
The IUPAC name of benzene;(2-carbamoylphenyl)methyl formate (CID 174940813) is benzene;(2-carbamoylphenyl)methyl formate.
What is the SMILES notation for benzene;(2-carbamoylphenyl)methyl formate?
The canonical SMILES for benzene;(2-carbamoylphenyl)methyl formate is NC(=O)c1ccccc1COC=O.c1ccccc1.
What is the InChIKey of benzene;(2-carbamoylphenyl)methyl formate?
The InChIKey is DXVJJRYHUJXCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.C6H6/c10-9(12)8-4-2-1-3-7(8)5-13-6-11;1-2-4-6-5-3-1/h1-4,6H,5H2,(H2,10,12);1-6H.
What are the key properties of benzene;(2-carbamoylphenyl)methyl formate?
benzene;(2-carbamoylphenyl)methyl formate has a molecular weight of 257.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(2-carbamoylphenyl)methyl formate is sourced from PubChem (CID 174940813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).