4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline

C15H10BrClFNS2 — CID 43759777

IUPAC4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline
SMILESFc1cc(Br)ccc1NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C15H10BrClFNS2/c16-9-3-4-11(10(18)8-9)19-15(12-2-1-7-20-12)13-5-6-14(17)21-13/h1-8,15,19H
InChIKeyUKCVLPHKSZHTFR-UHFFFAOYSA-N
MW402.74 g/mol
LogP6.57
Rot. Bonds4

About 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline

4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline (PubChem CID 43759777) has the molecular formula C15H10BrClFNS2 and a molecular weight of 402.74 g/mol. Its IUPAC name is 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline
PubChem CID43759777
Molecular FormulaC15H10BrClFNS2
Molecular Weight402.74 g/mol
Exact Mass400.91
IUPAC Name4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline
SMILESFc1cc(Br)ccc1NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C15H10BrClFNS2/c16-9-3-4-11(10(18)8-9)19-15(12-2-1-7-20-12)13-5-6-14(17)21-13/h1-8,15,19H
InChIKeyUKCVLPHKSZHTFR-UHFFFAOYSA-N
XLogP6.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.74
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methylaniline
CID 43758835
4-bromo-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43759717
2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
CID 43774020
4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
CID 43790408
4-bromo-N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 81287893
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-chlorothiophene
CID 63441250
2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
4-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-difluoroaniline
CID 65469266
2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
CID 43788805

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline (CID 43759777) is 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline is Fc1cc(Br)ccc1NC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline?
The InChIKey is UKCVLPHKSZHTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNS2/c16-9-3-4-11(10(18)8-9)19-15(12-2-1-7-20-12)13-5-6-14(17)21-13/h1-8,15,19H.
What are the key properties of 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline?
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline has a molecular weight of 402.74 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline is sourced from PubChem (CID 43759777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).