N-[(3-chlorophenyl)methyl]-2-ethylbutanamide

C13H18ClNO — CID 17071149

IUPACN-[(3-chlorophenyl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-3-11(4-2)13(16)15-9-10-6-5-7-12(14)8-10/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyVWONSTWCTHTIGB-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.39
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-ethylbutanamide

N-[(3-chlorophenyl)methyl]-2-ethylbutanamide (PubChem CID 17071149) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-ethylbutanamide
PubChem CID17071149
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-3-11(4-2)13(16)15-9-10-6-5-7-12(14)8-10/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyVWONSTWCTHTIGB-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 3957835
N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 118729021
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-ethylbutanamide (CID 17071149) is N-[(3-chlorophenyl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-ethylbutanamide?
The InChIKey is VWONSTWCTHTIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-11(4-2)13(16)15-9-10-6-5-7-12(14)8-10/h5-8,11H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-ethylbutanamide?
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide has a molecular weight of 239.75 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 17071149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).