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

C11H14ClFN2O — CID 65193733

IUPACN-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
SMILESCCC(CN)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-2-8(6-14)15-11(16)9-4-3-7(13)5-10(9)12/h3-5,8H,2,6,14H2,1H3,(H,15,16)
InChIKeySXFDHRATROUZCA-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.95
Rot. Bonds4

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

N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide (PubChem CID 65193733) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
PubChem CID65193733
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC NameN-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
SMILESCCC(CN)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-2-8(6-14)15-11(16)9-4-3-7(13)5-10(9)12/h3-5,8H,2,6,14H2,1H3,(H,15,16)
InChIKeySXFDHRATROUZCA-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

N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide
CID 122151805
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide (CID 65193733) is N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide is CCC(CN)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide?
The InChIKey is SXFDHRATROUZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-2-8(6-14)15-11(16)9-4-3-7(13)5-10(9)12/h3-5,8H,2,6,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide?
N-(1-aminobutan-2-yl)-2-chloro-4-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)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 65193733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).