methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate

C19H14ClNO3 — CID 17102102

IUPACmethyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C19H14ClNO3/c1-24-19(23)15-6-2-3-11-17(15)21-18(22)14-9-4-8-13-12(14)7-5-10-16(13)20/h2-11H,1H3,(H,21,22)
InChIKeyBLMKFDYUJPPQTB-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.53
Rot. Bonds3

About methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate

methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate (PubChem CID 17102102) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
PubChem CID17102102
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Namemethyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C19H14ClNO3/c1-24-19(23)15-6-2-3-11-17(15)21-18(22)14-9-4-8-13-12(14)7-5-10-16(13)20/h2-11H,1H3,(H,21,22)
InChIKeyBLMKFDYUJPPQTB-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-(2-chlorophenyl)-4-methoxynaphthalene-1-carboxamide
CID 110169740
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956315
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 22780345
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate (CID 17102102) is methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate?
The InChIKey is BLMKFDYUJPPQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-24-19(23)15-6-2-3-11-17(15)21-18(22)14-9-4-8-13-12(14)7-5-10-16(13)20/h2-11H,1H3,(H,21,22).
What are the key properties of methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate?
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate has a molecular weight of 339.78 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate is sourced from PubChem (CID 17102102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).