1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C19H21ClN2O3 — CID 109050654

IUPAC1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C19H21ClN2O3/c1-11(2)21-18(23)13-6-5-7-14(9-13)19(24)22-16-8-12(3)15(20)10-17(16)25-4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyMUKUEUVTJMAQPR-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.05
Rot. Bonds5

About 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 109050654) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID109050654
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C19H21ClN2O3/c1-11(2)21-18(23)13-6-5-7-14(9-13)19(24)22-16-8-12(3)15(20)10-17(16)25-4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyMUKUEUVTJMAQPR-UHFFFAOYSA-N
XLogP4.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
CID 9270970
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide
CID 78804763
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 109050654) is 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is MUKUEUVTJMAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-11(2)21-18(23)13-6-5-7-14(9-13)19(24)22-16-8-12(3)15(20)10-17(16)25-4/h5-11H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 360.84 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).