2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide

C13H19ClN2O — CID 43705773

IUPAC2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
SMILESCCC(N)C(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-12(15)13(17)16-9(2)7-10-5-4-6-11(14)8-10/h4-6,8-9,12H,3,7,15H2,1-2H3,(H,16,17)
InChIKeyTUTNZYYKWJGNFB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide

2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide (PubChem CID 43705773) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
PubChem CID43705773
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
SMILESCCC(N)C(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-12(15)13(17)16-9(2)7-10-5-4-6-11(14)8-10/h4-6,8-9,12H,3,7,15H2,1-2H3,(H,16,17)
InChIKeyTUTNZYYKWJGNFB-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
CID 60854385
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
CID 62473376
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
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-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide (CID 43705773) is 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide is CCC(N)C(=O)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide?
The InChIKey is TUTNZYYKWJGNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-12(15)13(17)16-9(2)7-10-5-4-6-11(14)8-10/h4-6,8-9,12H,3,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide?
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide has a molecular weight of 254.76 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide is sourced from PubChem (CID 43705773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).