2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide

C14H20ClNO — CID 42561774

IUPAC2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-10(14(2,3)4)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyRFWNGHPSVIKAAV-SNVBAGLBSA-N
MW253.77 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide

2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide (PubChem CID 42561774) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
PubChem CID42561774
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-10(14(2,3)4)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyRFWNGHPSVIKAAV-SNVBAGLBSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylbutanoate
CID 16625987
N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
CID 106354844
N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 104829523
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
2-(4-chlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884674
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
CID 71459140
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220451

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide (CID 42561774) is 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide is C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide?
The InChIKey is RFWNGHPSVIKAAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(14(2,3)4)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide?
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide has a molecular weight of 253.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide is sourced from PubChem (CID 42561774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).