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

C17H18ClNO2 — CID 886785

IUPACN-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H18ClNO2/c1-11(2)21-14-9-7-13(8-10-14)17(20)19-16-6-4-5-15(18)12(16)3/h4-11H,1-3H3,(H,19,20)
InChIKeyYTNRDPHLNCMAEB-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.69
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide (PubChem CID 886785) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
PubChem CID886785
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H18ClNO2/c1-11(2)21-14-9-7-13(8-10-14)17(20)19-16-6-4-5-15(18)12(16)3/h4-11H,1-3H3,(H,19,20)
InChIKeyYTNRDPHLNCMAEB-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

1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991783
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
CID 56545392
N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 4055440
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
CID 46458023
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-(2-hydroxy-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 27681755

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide (CID 886785) is N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide?
The InChIKey is YTNRDPHLNCMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(2)21-14-9-7-13(8-10-14)17(20)19-16-6-4-5-15(18)12(16)3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide?
N-(3-chloro-2-methylphenyl)-4-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-2-methylphenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 886785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).