2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide

C18H17BrFNO2 — CID 34576891

IUPAC2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C18H17BrFNO2/c1-23-14-8-9-16(19)15(10-14)18(22)21(13-6-7-13)11-12-4-2-3-5-17(12)20/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyOWCBPBMGVWBVFW-UHFFFAOYSA-N
MW378.24 g/mol
LogP4.40
Rot. Bonds5

About 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide

2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide (PubChem CID 34576891) has the molecular formula C18H17BrFNO2 and a molecular weight of 378.24 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
PubChem CID34576891
Molecular FormulaC18H17BrFNO2
Molecular Weight378.24 g/mol
Exact Mass377.04
IUPAC Name2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C18H17BrFNO2/c1-23-14-8-9-16(19)15(10-14)18(22)21(13-6-7-13)11-12-4-2-3-5-17(12)20/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyOWCBPBMGVWBVFW-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 9406115
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
(E)-N-cyclopropyl-3-(2,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 18198598
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3-methoxybenzamide
CID 40643575
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
CID 55772522
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545378
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide (CID 34576891) is 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)N(Cc2ccccc2F)C2CC2)c1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide?
The InChIKey is OWCBPBMGVWBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO2/c1-23-14-8-9-16(19)15(10-14)18(22)21(13-6-7-13)11-12-4-2-3-5-17(12)20/h2-5,8-10,13H,6-7,11H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide?
2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide has a molecular weight of 378.24 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 34576891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).