5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide

C12H11ClFN3O — CID 63235961

IUPAC5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H11ClFN3O/c1-17-5-4-15-11(17)7-16-12(18)9-6-8(13)2-3-10(9)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyVSWBYFHLLPRPRZ-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.14
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide

5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 63235961) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID63235961
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H11ClFN3O/c1-17-5-4-15-11(17)7-16-12(18)9-6-8(13)2-3-10(9)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyVSWBYFHLLPRPRZ-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
2,4-diamino-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63296114
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63236046
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 63235961) is 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1CNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is VSWBYFHLLPRPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-17-5-4-15-11(17)7-16-12(18)9-6-8(13)2-3-10(9)14/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 267.69 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 63235961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).