N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide

C13H19ClN2O — CID 62637658

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(16-13(17)10(2)15-3)7-11-5-4-6-12(14)8-11/h4-6,8-10,15H,7H2,1-3H3,(H,16,17)
InChIKeyKHMPXNVRTAZEAD-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide

N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide (PubChem CID 62637658) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
PubChem CID62637658
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(16-13(17)10(2)15-3)7-11-5-4-6-12(14)8-11/h4-6,8-10,15H,7H2,1-3H3,(H,16,17)
InChIKeyKHMPXNVRTAZEAD-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
CID 81075790
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
CID 60854385
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
CID 96958726
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
CID 62473376
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
CID 102851122
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide (CID 62637658) is N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide is CNC(C)C(=O)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide?
The InChIKey is KHMPXNVRTAZEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(16-13(17)10(2)15-3)7-11-5-4-6-12(14)8-11/h4-6,8-10,15H,7H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide?
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 62637658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).