4-[(3-chloro-5-fluorophenyl)methylamino]butanamide

C11H14ClFN2O — CID 114452625

IUPAC4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
SMILESNC(=O)CCCNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c12-9-4-8(5-10(13)6-9)7-15-3-1-2-11(14)16/h4-6,15H,1-3,7H2,(H2,14,16)
InChIKeyBSLGQNUZKQZRIO-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.83
Rot. Bonds6

About 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide

4-[(3-chloro-5-fluorophenyl)methylamino]butanamide (PubChem CID 114452625) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
PubChem CID114452625
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
SMILESNC(=O)CCCNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c12-9-4-8(5-10(13)6-9)7-15-3-1-2-11(14)16/h4-6,15H,1-3,7H2,(H2,14,16)
InChIKeyBSLGQNUZKQZRIO-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide
CID 79891294
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
3-[(3-chloro-5-fluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 114452198
N-[(3-chloro-5-fluorophenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 114452806
4-[(2-chloro-5-fluorophenyl)methylamino]butanamide
CID 102615506
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
tert-butyl N-[2-[(3-chloro-5-fluorophenyl)methylamino]ethyl]carbamate
CID 104938096
3-[(3-fluoro-5-nitrophenyl)methylamino]propanamide
CID 112646669
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
CID 104953901
ethyl 4-[(3-bromo-5-fluorophenyl)methylamino]butanoate
CID 79710345

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide?
The IUPAC name of 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide (CID 114452625) is 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide?
The canonical SMILES for 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide is NC(=O)CCCNCc1cc(F)cc(Cl)c1.
What is the InChIKey of 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide?
The InChIKey is BSLGQNUZKQZRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-9-4-8(5-10(13)6-9)7-15-3-1-2-11(14)16/h4-6,15H,1-3,7H2,(H2,14,16).
What are the key properties of 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide?
4-[(3-chloro-5-fluorophenyl)methylamino]butanamide has a molecular weight of 244.70 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-fluorophenyl)methylamino]butanamide is sourced from PubChem (CID 114452625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).