2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide

C13H19ClN2O — CID 67518773

IUPAC2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(C)CC(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-9(2)16(3)8-12(13(15)17)10-4-6-11(14)7-5-10/h4-7,9,12H,8H2,1-3H3,(H2,15,17)
InChIKeyADNZNFBUPANGOG-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide

2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide (PubChem CID 67518773) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
PubChem CID67518773
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(C)CC(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-9(2)16(3)8-12(13(15)17)10-4-6-11(14)7-5-10/h4-7,9,12H,8H2,1-3H3,(H2,15,17)
InChIKeyADNZNFBUPANGOG-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
2-(4-chlorophenyl)-1-(dimethylamino)-4-methylpentan-3-one
CID 58458140
(2R)-2-(4-chlorophenyl)-4-[di(propan-2-yl)amino]butanoic acid
CID 27281938
(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide
CID 87430250
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
CID 67518777
2-(4-chlorophenyl)-2-(2-methylpropylamino)acetamide
CID 60995659
2-[[(2S,3R)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100638991
2-[[(2S,3S)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100639003
3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914743
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
CID 120563545

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide (CID 67518773) is 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide is CC(C)N(C)CC(C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide?
The InChIKey is ADNZNFBUPANGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)16(3)8-12(13(15)17)10-4-6-11(14)7-5-10/h4-7,9,12H,8H2,1-3H3,(H2,15,17).
What are the key properties of 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide?
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 67518773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).