5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide

C15H14BrCl2NOS — CID 63523898

IUPAC5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C15H14BrCl2NOS/c1-9(2)19(15(20)13-5-6-14(16)21-13)8-10-3-4-11(17)12(18)7-10/h3-7,9H,8H2,1-2H3
InChIKeyYVVBDEKBDJIELQ-UHFFFAOYSA-N
MW407.16 g/mol
LogP5.87
Rot. Bonds4

About 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide

5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 63523898) has the molecular formula C15H14BrCl2NOS and a molecular weight of 407.16 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID63523898
Molecular FormulaC15H14BrCl2NOS
Molecular Weight407.16 g/mol
Exact Mass404.94
IUPAC Name5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C15H14BrCl2NOS/c1-9(2)19(15(20)13-5-6-14(16)21-13)8-10-3-4-11(17)12(18)7-10/h3-7,9H,8H2,1-2H3
InChIKeyYVVBDEKBDJIELQ-UHFFFAOYSA-N
XLogP5.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.16
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685188
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
CID 119740289
N-(2-bromoethyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 80670954
N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 52671402
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
CID 62837617
5-bromo-N-methyl-N-(naphthalen-2-ylmethyl)thiophene-2-carboxamide
CID 60646059
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 61163777
methyl 3-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]-5-nitrobenzoate
CID 52701013
3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 107999475
N-[(3,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 55892065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide (CID 63523898) is 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is YVVBDEKBDJIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NOS/c1-9(2)19(15(20)13-5-6-14(16)21-13)8-10-3-4-11(17)12(18)7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide?
5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 407.16 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 63523898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).