3-[(3-chlorophenyl)methylamino]-3-methylbutanamide

C12H17ClN2O — CID 104580168

IUPAC3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-12(2,7-11(14)16)15-8-9-4-3-5-10(13)6-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyUZRMEOOFHMWDIV-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.08
Rot. Bonds5

About 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide

3-[(3-chlorophenyl)methylamino]-3-methylbutanamide (PubChem CID 104580168) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
PubChem CID104580168
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-12(2,7-11(14)16)15-8-9-4-3-5-10(13)6-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyUZRMEOOFHMWDIV-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[(3-nitrophenyl)methylamino]butanamide
CID 113429153
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733
3-[(2-chloro-6-fluorophenyl)methylamino]-3-methylbutanamide
CID 104580447
3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
CID 104580524
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
3-[(5-chloro-2-nitrophenyl)methylamino]-3-methylbutanamide
CID 104580379
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
CID 97238718
2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62517659
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide (CID 104580168) is 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NCc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide?
The InChIKey is UZRMEOOFHMWDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2,7-11(14)16)15-8-9-4-3-5-10(13)6-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide?
3-[(3-chlorophenyl)methylamino]-3-methylbutanamide has a molecular weight of 240.73 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 104580168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).