3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide

C15H15BrClNOS — CID 107999475

IUPAC3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNOS/c1-10(2)18(9-12-4-3-7-20-12)15(19)11-5-6-14(17)13(16)8-11/h3-8,10H,9H2,1-2H3
InChIKeyITXRLUWOPDUHMB-UHFFFAOYSA-N
MW372.72 g/mol
LogP5.21
Rot. Bonds4

About 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide

3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 107999475) has the molecular formula C15H15BrClNOS and a molecular weight of 372.72 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID107999475
Molecular FormulaC15H15BrClNOS
Molecular Weight372.72 g/mol
Exact Mass370.97
IUPAC Name3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNOS/c1-10(2)18(9-12-4-3-7-20-12)15(19)11-5-6-14(17)13(16)8-11/h3-8,10H,9H2,1-2H3
InChIKeyITXRLUWOPDUHMB-UHFFFAOYSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.72
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024895
3-bromo-4-chloro-N-(2-chloroethyl)-N-propan-2-ylbenzamide
CID 107993605
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61394689
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119180922
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide (CID 107999475) is 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide is CC(C)N(Cc1cccs1)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ITXRLUWOPDUHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNOS/c1-10(2)18(9-12-4-3-7-20-12)15(19)11-5-6-14(17)13(16)8-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 372.72 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 107999475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).