3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide

C15H12BrF2NOS — CID 55761445

IUPAC3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H12BrF2NOS/c16-12-5-6-21-14(12)15(20)19(11-3-4-11)8-9-1-2-10(17)7-13(9)18/h1-2,5-7,11H,3-4,8H2
InChIKeyHVFKRFVKOAWLJL-UHFFFAOYSA-N
MW372.23 g/mol
LogP4.59
Rot. Bonds4

About 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide

3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 55761445) has the molecular formula C15H12BrF2NOS and a molecular weight of 372.23 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID55761445
Molecular FormulaC15H12BrF2NOS
Molecular Weight372.23 g/mol
Exact Mass370.98
IUPAC Name3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H12BrF2NOS/c16-12-5-6-21-14(12)15(20)19(11-3-4-11)8-9-1-2-10(17)7-13(9)18/h1-2,5-7,11H,3-4,8H2
InChIKeyHVFKRFVKOAWLJL-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119715290
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 112816240
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 60777644
2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
CID 62034468
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide (CID 55761445) is 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide is O=C(c1sccc1Br)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is HVFKRFVKOAWLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NOS/c16-12-5-6-21-14(12)15(20)19(11-3-4-11)8-9-1-2-10(17)7-13(9)18/h1-2,5-7,11H,3-4,8H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide?
3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 372.23 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55761445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).