N-(4-chlorophenyl)-3-(dimethylamino)butanamide

C12H17ClN2O — CID 123590846

IUPACN-(4-chlorophenyl)-3-(dimethylamino)butanamide
SMILESCC(CC(=O)Nc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C12H17ClN2O/c1-9(15(2)3)8-12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyMISAGLDCEZLBEI-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.62
Rot. Bonds4

About N-(4-chlorophenyl)-3-(dimethylamino)butanamide

N-(4-chlorophenyl)-3-(dimethylamino)butanamide (PubChem CID 123590846) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(dimethylamino)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(dimethylamino)butanamide
PubChem CID123590846
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(4-chlorophenyl)-3-(dimethylamino)butanamide
SMILESCC(CC(=O)Nc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C12H17ClN2O/c1-9(15(2)3)8-12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyMISAGLDCEZLBEI-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
N-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]-methylcarbamoyl]amino]phenyl]-3-methylbutanamide
CID 51945831
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
[(2S)-4-(4-chloroanilino)-4-oxobutan-2-yl]-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 9453401
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(dimethylamino)butanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(dimethylamino)butanamide (CID 123590846) is N-(4-chlorophenyl)-3-(dimethylamino)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(dimethylamino)butanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(dimethylamino)butanamide is CC(CC(=O)Nc1ccc(Cl)cc1)N(C)C.
What is the InChIKey of N-(4-chlorophenyl)-3-(dimethylamino)butanamide?
The InChIKey is MISAGLDCEZLBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(15(2)3)8-12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(4-chlorophenyl)-3-(dimethylamino)butanamide?
N-(4-chlorophenyl)-3-(dimethylamino)butanamide has a molecular weight of 240.73 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(dimethylamino)butanamide is sourced from PubChem (CID 123590846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).