N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide

C17H18ClNO2 — CID 1406499

IUPACN-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11(2)12-4-6-13(7-5-12)17(20)19-14-8-9-16(21-3)15(18)10-14/h4-11H,1-3H3,(H,19,20)
InChIKeyTWIBDKAITZMLKG-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.72
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide

N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide (PubChem CID 1406499) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
PubChem CID1406499
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11(2)12-4-6-13(7-5-12)17(20)19-14-8-9-16(21-3)15(18)10-14/h4-11H,1-3H3,(H,19,20)
InChIKeyTWIBDKAITZMLKG-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
2-(3-chloro-4-methoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267919
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide (CID 1406499) is N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide is COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide?
The InChIKey is TWIBDKAITZMLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(2)12-4-6-13(7-5-12)17(20)19-14-8-9-16(21-3)15(18)10-14/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide?
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 1406499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).