2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide

C13H19ClN2O — CID 119127733

IUPAC2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(NCc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)11(12(15)17)16-8-9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H2,15,17)
InChIKeyWWDSVJWIUXGSAX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.33
Rot. Bonds4

About 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide

2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide (PubChem CID 119127733) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
PubChem CID119127733
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(NCc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)11(12(15)17)16-8-9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H2,15,17)
InChIKeyWWDSVJWIUXGSAX-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3,3-dimethyl-2-[(3-nitrophenyl)methylamino]butanamide
CID 71983342
(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
CID 111750581
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124787
3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
CID 104580168
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide
CID 119127723
2-[(4-cyanophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124792
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide (CID 119127733) is 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide is CC(C)(C)C(NCc1cccc(Cl)c1)C(N)=O.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide?
The InChIKey is WWDSVJWIUXGSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,3)11(12(15)17)16-8-9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide?
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide has a molecular weight of 254.76 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide is sourced from PubChem (CID 119127733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).