4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide

C11H14ClFN2O — CID 62538443

IUPAC4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c12-9-6-8(3-4-10(9)13)7-15-11(16)2-1-5-14/h3-4,6H,1-2,5,7,14H2,(H,15,16)
InChIKeyJHKOESPBNLYVAE-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.83
Rot. Bonds5

About 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide

4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide (PubChem CID 62538443) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
PubChem CID62538443
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c12-9-6-8(3-4-10(9)13)7-15-11(16)2-1-5-14/h3-4,6H,1-2,5,7,14H2,(H,15,16)
InChIKeyJHKOESPBNLYVAE-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
CID 60621030
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3-trimethylbutanamide
CID 65266643
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
CID 115166258
4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide
CID 119320083
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-methylbutanamide
CID 62538439

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide (CID 62538443) is 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide is NCCCC(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide?
The InChIKey is JHKOESPBNLYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-9-6-8(3-4-10(9)13)7-15-11(16)2-1-5-14/h3-4,6H,1-2,5,7,14H2,(H,15,16).
What are the key properties of 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide?
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide has a molecular weight of 244.70 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 62538443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).