methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate

C20H16ClNO4 — CID 92679714

IUPACmethyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3cc2OC)c1
InChIInChI=1S/C20H16ClNO4/c1-25-18-11-13-6-4-3-5-12(13)9-15(18)19(23)22-17-10-14(20(24)26-2)7-8-16(17)21/h3-11H,1-2H3,(H,22,23)
InChIKeySDDLAZRJXPFVAJ-UHFFFAOYSA-N
MW369.80 g/mol
LogP4.54
Rot. Bonds4

About methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate

methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate (PubChem CID 92679714) has the molecular formula C20H16ClNO4 and a molecular weight of 369.80 g/mol. Its IUPAC name is methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
PubChem CID92679714
Molecular FormulaC20H16ClNO4
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Namemethyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3cc2OC)c1
InChIInChI=1S/C20H16ClNO4/c1-25-18-11-13-6-4-3-5-12(13)9-15(18)19(23)22-17-10-14(20(24)26-2)7-8-16(17)21/h3-11H,1-2H3,(H,22,23)
InChIKeySDDLAZRJXPFVAJ-UHFFFAOYSA-N
XLogP4.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(phenylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 2268765
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate
CID 110861824
methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 113000009
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108987050
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate (CID 92679714) is methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3cc2OC)c1.
What is the InChIKey of methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The InChIKey is SDDLAZRJXPFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4/c1-25-18-11-13-6-4-3-5-12(13)9-15(18)19(23)22-17-10-14(20(24)26-2)7-8-16(17)21/h3-11H,1-2H3,(H,22,23).
What are the key properties of methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate has a molecular weight of 369.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 92679714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).