N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide

C17H18ClNO2 — CID 17045551

IUPACN-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2ccccc2OC(C)C)cc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11(2)21-16-7-5-4-6-14(16)17(20)19-13-9-8-12(3)15(18)10-13/h4-11H,1-3H3,(H,19,20)
InChIKeySMJTVCBWOXWPSM-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.69
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide

N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide (PubChem CID 17045551) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
PubChem CID17045551
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2ccccc2OC(C)C)cc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11(2)21-16-7-5-4-6-14(16)17(20)19-13-9-8-12(3)15(18)10-13/h4-11H,1-3H3,(H,19,20)
InChIKeySMJTVCBWOXWPSM-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045900
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045856
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide
CID 90364375
2-[2-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119181392
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 82027590

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide (CID 17045551) is N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide is Cc1ccc(NC(=O)c2ccccc2OC(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide?
The InChIKey is SMJTVCBWOXWPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(2)21-16-7-5-4-6-14(16)17(20)19-13-9-8-12(3)15(18)10-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide?
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.69, 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-methylphenyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17045551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).