2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide

C15H21ClN2O2 — CID 132650062

IUPAC2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)C(CC)C(=O)NC
InChIInChI=1S/C15H21ClN2O2/c1-4-13(15(20)17-3)18(14(19)5-2)10-11-8-6-7-9-12(11)16/h6-9,13H,4-5,10H2,1-3H3,(H,17,20)
InChIKeySMYCJBMNZRLBTM-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.60
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide

2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide (PubChem CID 132650062) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide
PubChem CID132650062
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)C(CC)C(=O)NC
InChIInChI=1S/C15H21ClN2O2/c1-4-13(15(20)17-3)18(14(19)5-2)10-11-8-6-7-9-12(11)16/h6-9,13H,4-5,10H2,1-3H3,(H,17,20)
InChIKeySMYCJBMNZRLBTM-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100570597
2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide
CID 132651489
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132659746
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
CID 132656034
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide
CID 132668252
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
CID 132761965
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methylbutanamide
CID 132659708
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697908
2-[(2-chlorophenyl)methyl-[2-(3,4-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-methylbutanamide
CID 132682975
(2S)-2-[(2-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100570768
(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 100676452
2-[(2-chlorophenyl)methyl-[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]-N-methylbutanamide
CID 132674876

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide (CID 132650062) is 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide is CCC(=O)N(Cc1ccccc1Cl)C(CC)C(=O)NC.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide?
The InChIKey is SMYCJBMNZRLBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-13(15(20)17-3)18(14(19)5-2)10-11-8-6-7-9-12(11)16/h6-9,13H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide?
2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide has a molecular weight of 296.80 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide is sourced from PubChem (CID 132650062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).