2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide

C16H14ClFN2O — CID 91767645

IUPAC2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cc(F)ccc1Cl)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C16H14ClFN2O/c17-15-6-3-12(18)8-14(15)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10H2
InChIKeyMSUUSSYRKBVIPU-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.68
Rot. Bonds4

About 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide

2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 91767645) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID91767645
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cc(F)ccc1Cl)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C16H14ClFN2O/c17-15-6-3-12(18)8-14(15)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10H2
InChIKeyMSUUSSYRKBVIPU-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 79705171
6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 39543853
5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride
CID 154898433
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115645755
2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 55593568
N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
CID 75493389
N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 37028672
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide (CID 91767645) is 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide is O=C(c1cc(F)ccc1Cl)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MSUUSSYRKBVIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-15-6-3-12(18)8-14(15)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10H2.
What are the key properties of 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide?
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 304.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 91767645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).