N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide

C13H18ClFN2O — CID 81461199

IUPACN-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C13H18ClFN2O/c1-8(2)6-9(7-16)17-13(18)10-4-3-5-11(15)12(10)14/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyHOJBRBFNULPXCU-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.58
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide

N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide (PubChem CID 81461199) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
PubChem CID81461199
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C13H18ClFN2O/c1-8(2)6-9(7-16)17-13(18)10-4-3-5-11(15)12(10)14/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyHOJBRBFNULPXCU-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
CID 119587216
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
2-[(2-chloro-3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 81361459
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119588241
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119586236
2-chloro-3-fluoro-N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]benzamide
CID 97328535
2-chloro-3-fluoro-N-hex-5-yn-3-ylbenzamide
CID 115660004
methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
CID 81462130

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide (CID 81461199) is N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide is CC(C)CC(CN)NC(=O)c1cccc(F)c1Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide?
The InChIKey is HOJBRBFNULPXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-8(2)6-9(7-16)17-13(18)10-4-3-5-11(15)12(10)14/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide?
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide has a molecular weight of 272.75 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide is sourced from PubChem (CID 81461199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).