3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide

C19H11Cl3N2O3S — CID 18376694

IUPAC3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide
SMILESO=Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H11Cl3N2O3S/c20-10-1-4-12(5-2-10)23-18(26)14-7-11(21)3-6-16(14)24-19(27)17-15(22)8-13(9-25)28-17/h1-9H,(H,23,26)(H,24,27)
InChIKeyTXFFTXXRRPKZAT-UHFFFAOYSA-N
MW453.73 g/mol
LogP6.03
Rot. Bonds5

About 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide

3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide (PubChem CID 18376694) has the molecular formula C19H11Cl3N2O3S and a molecular weight of 453.73 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide
PubChem CID18376694
Molecular FormulaC19H11Cl3N2O3S
Molecular Weight453.73 g/mol
Exact Mass451.96
IUPAC Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide
SMILESO=Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H11Cl3N2O3S/c20-10-1-4-12(5-2-10)23-18(26)14-7-11(21)3-6-16(14)24-19(27)17-15(22)8-13(9-25)28-17/h1-9H,(H,23,26)(H,24,27)
InChIKeyTXFFTXXRRPKZAT-UHFFFAOYSA-N
XLogP6.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.73
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-[2-(dimethylamino)ethylsulfinylmethyl]thiophene-2-carboxamide
CID 18376860
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376656
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 18377006
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
N-(4-chlorophenyl)-5-hydroxy-2-(methylamino)benzamide
CID 142083529
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 54738720
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
5-chloro-N-(4-cyanophenyl)-2-(methylamino)benzamide
CID 62166046
5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 44530362

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide (CID 18376694) is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide is O=Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide?
The InChIKey is TXFFTXXRRPKZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N2O3S/c20-10-1-4-12(5-2-10)23-18(26)14-7-11(21)3-6-16(14)24-19(27)17-15(22)8-13(9-25)28-17/h1-9H,(H,23,26)(H,24,27).
What are the key properties of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide?
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide has a molecular weight of 453.73 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide is sourced from PubChem (CID 18376694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).