N-(3-chloro-2-methylphenyl)-2-methylpropanamide

C11H14ClNO — CID 2057455

IUPACN-(3-chloro-2-methylphenyl)-2-methylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)C
InChIInChI=1S/C11H14ClNO/c1-7(2)11(14)13-10-6-4-5-9(12)8(10)3/h4-7H,1-3H3,(H,13,14)
InChIKeyBWRJBKDZHYLTSO-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.24
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2-methylpropanamide

N-(3-chloro-2-methylphenyl)-2-methylpropanamide (PubChem CID 2057455) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-methylpropanamide
PubChem CID2057455
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-methylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)C
InChIInChI=1S/C11H14ClNO/c1-7(2)11(14)13-10-6-4-5-9(12)8(10)3/h4-7H,1-3H3,(H,13,14)
InChIKeyBWRJBKDZHYLTSO-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-3-methyl-2-sulfanylbutanamide
CID 107020086
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926908
2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 55430532
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
(2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 9460387

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-methylpropanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-methylpropanamide (CID 2057455) is N-(3-chloro-2-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-methylpropanamide is Cc1c(Cl)cccc1NC(=O)C(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-methylpropanamide?
The InChIKey is BWRJBKDZHYLTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7(2)11(14)13-10-6-4-5-9(12)8(10)3/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-methylpropanamide?
N-(3-chloro-2-methylphenyl)-2-methylpropanamide has a molecular weight of 211.69 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 2057455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).