N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide

C11H14ClFN2O — CID 65194048

IUPACN-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
SMILESCCC(CN)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O/c1-2-8(6-14)15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2,6,14H2,1H3,(H,15,16)
InChIKeyVRHXRJFRAUMKSC-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.95
Rot. Bonds4

About N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide

N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide (PubChem CID 65194048) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
PubChem CID65194048
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC NameN-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
SMILESCCC(CN)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O/c1-2-8(6-14)15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2,6,14H2,1H3,(H,15,16)
InChIKeyVRHXRJFRAUMKSC-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
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N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
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2,4-dichloro-N-pentan-3-ylbenzamide
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N-(1-aminobutan-2-yl)-2-chlorobenzamide
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2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
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4-chloro-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 103528497
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CID 83187469

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide (CID 65194048) is N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide is CCC(CN)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide?
The InChIKey is VRHXRJFRAUMKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-2-8(6-14)15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2,6,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide?
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide has a molecular weight of 244.70 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 65194048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).