4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid

C18H11BrClNO3S — CID 67052311

IUPAC4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2cccc(Cl)c2)c1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C18H11BrClNO3S/c19-12-6-4-10(5-7-12)17(22)21-14-9-25-16(15(14)18(23)24)11-2-1-3-13(20)8-11/h1-9H,(H,21,22)(H,23,24)
InChIKeyFABFPCRPBHCYJC-UHFFFAOYSA-N
MW436.71 g/mol
LogP5.78
Rot. Bonds4

About 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid

4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid (PubChem CID 67052311) has the molecular formula C18H11BrClNO3S and a molecular weight of 436.71 g/mol. Its IUPAC name is 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid
PubChem CID67052311
Molecular FormulaC18H11BrClNO3S
Molecular Weight436.71 g/mol
Exact Mass434.93
IUPAC Name4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2cccc(Cl)c2)c1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C18H11BrClNO3S/c19-12-6-4-10(5-7-12)17(22)21-14-9-25-16(15(14)18(23)24)11-2-1-3-13(20)8-11/h1-9H,(H,21,22)(H,23,24)
InChIKeyFABFPCRPBHCYJC-UHFFFAOYSA-N
XLogP5.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 67052318
2-(4-bromophenyl)-4-[[4-(1,1-difluoroethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 58191425
2-(4-bromophenyl)-4-[[4-(dimethylamino)benzoyl]amino]thiophene-3-carboxylic acid
CID 58191570
2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191544
2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 67052256
2-(3-chlorophenyl)-4-[(2,3,6-trifluoro-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250506
4-(1-benzothiophene-5-carbonylamino)-2-(4-bromophenyl)thiophene-3-carboxylic acid
CID 58191562
2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 58191184
2-(4-bromophenyl)-4-(2,3-dihydro-1,2,3-benzothiadiazole-5-carbonylamino)thiophene-3-carboxylic acid
CID 123854717
2-[(4-bromobenzoyl)amino]-4-(3,5-dichlorophenyl)thiophene-3-carboxylic acid
CID 25225371
2-benzamido-4-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 139391684
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid (CID 67052311) is 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid is O=C(Nc1csc(-c2cccc(Cl)c2)c1C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid?
The InChIKey is FABFPCRPBHCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClNO3S/c19-12-6-4-10(5-7-12)17(22)21-14-9-25-16(15(14)18(23)24)11-2-1-3-13(20)8-11/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid?
4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid has a molecular weight of 436.71 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 67052311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).