(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate

C15H13ClN2O3 — CID 102669562

IUPAC(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
SMILESNC(=O)c1ccc(COC(=O)c2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-10(14(18)19)1-2-11(13)8-21-15(20)9-3-5-12(17)6-4-9/h1-7H,8,17H2,(H2,18,19)
InChIKeyBMHJWLBNGQRHIE-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.38
Rot. Bonds4

About (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate

(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate (PubChem CID 102669562) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate.

Molecular Properties

Compound Name(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
PubChem CID102669562
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
SMILESNC(=O)c1ccc(COC(=O)c2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-10(14(18)19)1-2-11(13)8-21-15(20)9-3-5-12(17)6-4-9/h1-7H,8,17H2,(H2,18,19)
InChIKeyBMHJWLBNGQRHIE-UHFFFAOYSA-N
XLogP2.38
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.38
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

(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 102669607
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
4-[(4-aminophenyl)sulfinylmethyl]-3-chlorobenzamide
CID 102669633
(2,4-dichlorophenyl)methyl 4-iodobenzoate
CID 2387646
4-(3-aminopropoxymethyl)-3-chlorobenzamide
CID 102668854
(2-chloro-4-fluorophenyl)methyl 3,5-diaminobenzoate
CID 61323117
(2,4-dichlorophenyl)methyl 3-amino-4-chlorobenzoate
CID 16578139
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide
CID 102670797
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180

Frequently Asked Questions

What is the IUPAC name of (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate?
The IUPAC name of (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate (CID 102669562) is (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate.
What is the SMILES notation for (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate?
The canonical SMILES for (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate is NC(=O)c1ccc(COC(=O)c2ccc(N)cc2)c(Cl)c1.
What is the InChIKey of (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate?
The InChIKey is BMHJWLBNGQRHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-7-10(14(18)19)1-2-11(13)8-21-15(20)9-3-5-12(17)6-4-9/h1-7H,8,17H2,(H2,18,19).
What are the key properties of (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate?
(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate has a molecular weight of 304.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate is sourced from PubChem (CID 102669562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).