N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide

C12H13F2NO — CID 94158144

IUPACN-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO/c1-15(7-8-2-3-8)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,2-3,7H2,1H3
InChIKeyLXSFEZLFLUYHKR-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.45
Rot. Bonds3

About N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide

N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide (PubChem CID 94158144) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
PubChem CID94158144
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO/c1-15(7-8-2-3-8)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,2-3,7H2,1H3
InChIKeyLXSFEZLFLUYHKR-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 113344764
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-difluoro-N-methylbenzamide
CID 51144824
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
4-bromo-N-[(3-bromocyclobutyl)methyl]-2-fluoro-N-methylbenzamide
CID 80673461
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 62861010

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide (CID 94158144) is N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide is CN(CC1CC1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide?
The InChIKey is LXSFEZLFLUYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-15(7-8-2-3-8)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,2-3,7H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide?
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide has a molecular weight of 225.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 94158144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).