N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide

C19H21ClN2O3 — CID 78804763

IUPACN-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-12-9-16(17(25-3)11-15(12)20)22-18(23)10-13(2)21-19(24)14-7-5-4-6-8-14/h4-9,11,13H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyXRWXTWYBBMUZRM-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.80
Rot. Bonds6

About N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide

N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide (PubChem CID 78804763) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide
PubChem CID78804763
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-12-9-16(17(25-3)11-15(12)20)22-18(23)10-13(2)21-19(24)14-7-5-4-6-8-14/h4-9,11,13H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyXRWXTWYBBMUZRM-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
methyl 3-(3-benzamidobutanoylamino)-2-methylbenzoate
CID 134044449
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 40856169
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide (CID 78804763) is N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide is COc1cc(Cl)c(C)cc1NC(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide?
The InChIKey is XRWXTWYBBMUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-9-16(17(25-3)11-15(12)20)22-18(23)10-13(2)21-19(24)14-7-5-4-6-8-14/h4-9,11,13H,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide?
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 78804763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).