N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide

C15H15BrClNOS — CID 103406160

IUPACN-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cccc(CCCBr)c2)c1Cl
InChIInChI=1S/C15H15BrClNOS/c1-10-9-20-14(13(10)17)15(19)18-12-6-2-4-11(8-12)5-3-7-16/h2,4,6,8-9H,3,5,7H2,1H3,(H,18,19)
InChIKeyHGFOYPPRLDPUDC-UHFFFAOYSA-N
MW372.72 g/mol
LogP5.29
Rot. Bonds5

About N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide

N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103406160) has the molecular formula C15H15BrClNOS and a molecular weight of 372.72 g/mol. Its IUPAC name is N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103406160
Molecular FormulaC15H15BrClNOS
Molecular Weight372.72 g/mol
Exact Mass370.97
IUPAC NameN-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cccc(CCCBr)c2)c1Cl
InChIInChI=1S/C15H15BrClNOS/c1-10-9-20-14(13(10)17)15(19)18-12-6-2-4-11(8-12)5-3-7-16/h2,4,6,8-9H,3,5,7H2,1H3,(H,18,19)
InChIKeyHGFOYPPRLDPUDC-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.72
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(bromomethyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406036
N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 113397928
N-[3-(3-bromopropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 113397924
(E)-3-[3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 103400239
2,5-dibromo-N-[3-(3-bromopropyl)phenyl]thiophene-3-carboxamide
CID 107966238
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124
N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
CID 114345344
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106754268

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide (CID 103406160) is N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2cccc(CCCBr)c2)c1Cl.
What is the InChIKey of N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is HGFOYPPRLDPUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNOS/c1-10-9-20-14(13(10)17)15(19)18-12-6-2-4-11(8-12)5-3-7-16/h2,4,6,8-9H,3,5,7H2,1H3,(H,18,19).
What are the key properties of N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide?
N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 372.72 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103406160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).