butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate

C19H20ClNO4 — CID 44871422

IUPACbutyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-4-11-25-19(23)13-5-8-15(9-6-13)21-18(22)14-7-10-17(24-2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
InChIKeySXXJPSKMVJQOOJ-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.56
Rot. Bonds7

About butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate

butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate (PubChem CID 44871422) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
PubChem CID44871422
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namebutyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-4-11-25-19(23)13-5-8-15(9-6-13)21-18(22)14-7-10-17(24-2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
InChIKeySXXJPSKMVJQOOJ-UHFFFAOYSA-N
XLogP4.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
propyl 4-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]benzoate
CID 2278731
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
butyl 4-[[3-chloro-4-(methanesulfonamido)benzoyl]amino]benzoate
CID 92686022
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
butyl 4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45372643
butyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 19174402
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
butyl 4-[(2,3,6-trichlorobenzoyl)amino]benzoate
CID 19171011
butyl 4-[(2-chloro-5-iodobenzoyl)amino]benzoate
CID 2298823

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate?
The IUPAC name of butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate (CID 44871422) is butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate?
The InChIKey is SXXJPSKMVJQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-4-11-25-19(23)13-5-8-15(9-6-13)21-18(22)14-7-10-17(24-2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate?
butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate has a molecular weight of 361.83 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 44871422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).