N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

C16H14BrFN2O2S — CID 86868025

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Br)c(F)c1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C16H14BrFN2O2S/c17-11-4-1-9(7-12(11)18)8-19-16(22)13-5-6-14(23-13)20-15(21)10-2-3-10/h1,4-7,10H,2-3,8H2,(H,19,22)(H,20,21)
InChIKeyFWJOKFOZDMDCPW-UHFFFAOYSA-N
MW397.27 g/mol
LogP3.93
Rot. Bonds5

About N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (PubChem CID 86868025) has the molecular formula C16H14BrFN2O2S and a molecular weight of 397.27 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
PubChem CID86868025
Molecular FormulaC16H14BrFN2O2S
Molecular Weight397.27 g/mol
Exact Mass395.99
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Br)c(F)c1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C16H14BrFN2O2S/c17-11-4-1-9(7-12(11)18)8-19-16(22)13-5-6-14(23-13)20-15(21)10-2-3-10/h1,4-7,10H,2-3,8H2,(H,19,22)(H,20,21)
InChIKeyFWJOKFOZDMDCPW-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86878356
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 86848335
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 17471955
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
CID 115668905
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one
CID 65436242
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001837
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (CID 86868025) is N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is O=C(NCc1ccc(Br)c(F)c1)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The InChIKey is FWJOKFOZDMDCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2S/c17-11-4-1-9(7-12(11)18)8-19-16(22)13-5-6-14(23-13)20-15(21)10-2-3-10/h1,4-7,10H,2-3,8H2,(H,19,22)(H,20,21).
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 86868025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).