5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide

C12H13ClFNO2 — CID 117044877

IUPAC5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
SMILESCC(=O)CCN(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO2/c1-8(16)5-6-15(2)12(17)10-7-9(13)3-4-11(10)14/h3-4,7H,5-6H2,1-2H3
InChIKeyQPODNKASJARTGC-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.53
Rot. Bonds4

About 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide

5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide (PubChem CID 117044877) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
PubChem CID117044877
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
SMILESCC(=O)CCN(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO2/c1-8(16)5-6-15(2)12(17)10-7-9(13)3-4-11(10)14/h3-4,7H,5-6H2,1-2H3
InChIKeyQPODNKASJARTGC-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640332
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
methyl 3-[(5-chloro-2-methylbenzoyl)-methylamino]propanoate
CID 113329866
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
3-[(2-fluoro-5-nitrobenzoyl)-methylamino]propanoic acid
CID 60989798

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide (CID 117044877) is 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide is CC(=O)CCN(C)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide?
The InChIKey is QPODNKASJARTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-8(16)5-6-15(2)12(17)10-7-9(13)3-4-11(10)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide?
5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide has a molecular weight of 257.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide is sourced from PubChem (CID 117044877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).