4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride

C15H14ClF3N2OS — CID 175987921

IUPAC4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(NCc2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3N2OS.ClH/c16-15(17,18)22-13-7-1-10(2-8-13)9-20-12-5-3-11(4-6-12)14(19)21;/h1-8,20H,9H2,(H2,19,21);1H
InChIKeyMKUARIQNKKCONW-UHFFFAOYSA-N
MW362.80 g/mol
LogP4.43
Rot. Bonds5

About 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride

4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride (PubChem CID 175987921) has the molecular formula C15H14ClF3N2OS and a molecular weight of 362.80 g/mol. Its IUPAC name is 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride
PubChem CID175987921
Molecular FormulaC15H14ClF3N2OS
Molecular Weight362.80 g/mol
Exact Mass362.05
IUPAC Name4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(NCc2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3N2OS.ClH/c16-15(17,18)22-13-7-1-10(2-8-13)9-20-12-5-3-11(4-6-12)14(19)21;/h1-8,20H,9H2,(H2,19,21);1H
InChIKeyMKUARIQNKKCONW-UHFFFAOYSA-N
XLogP4.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43232718
4-[(3,4-dichloroanilino)methyl]benzamide
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4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
2,2-dimethyl-4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]butanoic acid
CID 122126838
N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide
CID 18267359
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394
1-(4-chlorophenyl)-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea
CID 172617529
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
2-[[4-(trifluoromethylsulfanyl)anilino]methyl]aniline
CID 66385265
3-chloro-2,2-dimethyl-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63680173
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride?
The IUPAC name of 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride (CID 175987921) is 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride.
What is the SMILES notation for 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride?
The canonical SMILES for 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride is Cl.NC(=O)c1ccc(NCc2ccc(SC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride?
The InChIKey is MKUARIQNKKCONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS.ClH/c16-15(17,18)22-13-7-1-10(2-8-13)9-20-12-5-3-11(4-6-12)14(19)21;/h1-8,20H,9H2,(H2,19,21);1H.
What are the key properties of 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride?
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride has a molecular weight of 362.80 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzamide;hydrochloride is sourced from PubChem (CID 175987921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).