(3-carbamoylphenyl)methyl 2-aminobenzoate

C15H14N2O3 — CID 61322407

IUPAC(3-carbamoylphenyl)methyl 2-aminobenzoate
SMILESNC(=O)c1cccc(COC(=O)c2ccccc2N)c1
InChIInChI=1S/C15H14N2O3/c16-13-7-2-1-6-12(13)15(19)20-9-10-4-3-5-11(8-10)14(17)18/h1-8H,9,16H2,(H2,17,18)
InChIKeySYUFMCMTTJMPNS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.72
Rot. Bonds4

About (3-carbamoylphenyl)methyl 2-aminobenzoate

(3-carbamoylphenyl)methyl 2-aminobenzoate (PubChem CID 61322407) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 2-aminobenzoate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 2-aminobenzoate
PubChem CID61322407
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(3-carbamoylphenyl)methyl 2-aminobenzoate
SMILESNC(=O)c1cccc(COC(=O)c2ccccc2N)c1
InChIInChI=1S/C15H14N2O3/c16-13-7-2-1-6-12(13)15(19)20-9-10-4-3-5-11(8-10)14(17)18/h1-8H,9,16H2,(H2,17,18)
InChIKeySYUFMCMTTJMPNS-UHFFFAOYSA-N
XLogP1.72
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-carbamoylphenyl)methyl 2,4-diaminobenzoate
CID 61321979
(3-carbamoylphenyl)methyl 4-bromo-2-fluorobenzoate
CID 55634593
(3-carbamoylphenyl)methyl 2-(trifluoromethyl)pyridine-3-carboxylate
CID 86806491
(4-carbamoylphenyl)methyl 3-amino-2-methylbenzoate
CID 61321139
dibenzyl 4-aminobenzene-1,3-dicarboxylate
CID 166736545
(3-carbamoylphenyl)methyl 2-ethylbutanoate
CID 60562017
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
(3-fluorophenyl)methyl 2-amino-4-fluorobenzoate
CID 52562632
benzyl pyridine-3-carboxylate;ethyl 2-aminobenzoate
CID 157354656
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
(3-bromophenyl)methyl 2-sulfanylbenzoate
CID 107018986
benzyl 3-amino-2-methoxybenzoate;hydrochloride
CID 67245943

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 2-aminobenzoate?
The IUPAC name of (3-carbamoylphenyl)methyl 2-aminobenzoate (CID 61322407) is (3-carbamoylphenyl)methyl 2-aminobenzoate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 2-aminobenzoate?
The canonical SMILES for (3-carbamoylphenyl)methyl 2-aminobenzoate is NC(=O)c1cccc(COC(=O)c2ccccc2N)c1.
What is the InChIKey of (3-carbamoylphenyl)methyl 2-aminobenzoate?
The InChIKey is SYUFMCMTTJMPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-13-7-2-1-6-12(13)15(19)20-9-10-4-3-5-11(8-10)14(17)18/h1-8H,9,16H2,(H2,17,18).
What are the key properties of (3-carbamoylphenyl)methyl 2-aminobenzoate?
(3-carbamoylphenyl)methyl 2-aminobenzoate has a molecular weight of 270.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 2-aminobenzoate is sourced from PubChem (CID 61322407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).