4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide

C11H14ClFN2O — CID 80543505

IUPAC4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFN2O/c1-7(4-5-14)11(16)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyYDGIJTZBYSGFAR-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.40
Rot. Bonds4

About 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide

4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide (PubChem CID 80543505) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
PubChem CID80543505
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFN2O/c1-7(4-5-14)11(16)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyYDGIJTZBYSGFAR-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide
CID 80542482
2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
5-[(4-amino-2-methylbutanoyl)amino]-2-fluorobenzoic acid
CID 80542603
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide (CID 80543505) is 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide is CC(CCN)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide?
The InChIKey is YDGIJTZBYSGFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7(4-5-14)11(16)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide?
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide has a molecular weight of 244.70 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 80543505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).