3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide

C13H19ClN2O — CID 109013172

IUPAC3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
SMILESCCC(C)NCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-10(2)15-9-8-13(17)16-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyYFFSHFYOKXEDQG-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.06
Rot. Bonds6

About 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide

3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide (PubChem CID 109013172) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
PubChem CID109013172
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
SMILESCCC(C)NCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-10(2)15-9-8-13(17)16-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyYFFSHFYOKXEDQG-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate
CID 109013203
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
CID 6937398
(2S)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
CID 6937397
N-(2-chlorophenyl)hexanamide
CID 4644560
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
3-(butan-2-ylamino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 109013179
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)octanamide
CID 2292983
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide (CID 109013172) is 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide is CCC(C)NCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide?
The InChIKey is YFFSHFYOKXEDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-10(2)15-9-8-13(17)16-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide?
3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide has a molecular weight of 254.76 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 109013172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).