N-(3-chlorophenyl)-2-methylbutanamide

C11H14ClNO — CID 4636150

IUPACN-(3-chlorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyQGDDACIXDNBGJE-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.32
Rot. Bonds3

About N-(3-chlorophenyl)-2-methylbutanamide

N-(3-chlorophenyl)-2-methylbutanamide (PubChem CID 4636150) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methylbutanamide
PubChem CID4636150
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(3-chlorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyQGDDACIXDNBGJE-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-propylazanium
CID 2412456
2-bromo-N-(3-chlorophenyl)pentanamide
CID 19256824
2-(butylamino)-N-(3-chlorophenyl)propanamide
CID 3069643

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methylbutanamide?
The IUPAC name of N-(3-chlorophenyl)-2-methylbutanamide (CID 4636150) is N-(3-chlorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methylbutanamide?
The InChIKey is QGDDACIXDNBGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(3-chlorophenyl)-2-methylbutanamide?
N-(3-chlorophenyl)-2-methylbutanamide has a molecular weight of 211.69 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methylbutanamide is sourced from PubChem (CID 4636150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).