2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide

C24H21Cl2NOS — CID 143369039

IUPAC2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccc(SCC2CC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H21Cl2NOS/c25-19-10-13-21(22(26)14-19)24(28)27-23(17-4-2-1-3-5-17)18-8-11-20(12-9-18)29-15-16-6-7-16/h1-5,8-14,16,23H,6-7,15H2,(H,27,28)
InChIKeyIFQGERVSLUMHTE-UHFFFAOYSA-N
MW442.41 g/mol
LogP7.01
Rot. Bonds7

About 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide

2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide (PubChem CID 143369039) has the molecular formula C24H21Cl2NOS and a molecular weight of 442.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide
PubChem CID143369039
Molecular FormulaC24H21Cl2NOS
Molecular Weight442.41 g/mol
Exact Mass441.07
IUPAC Name2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccc(SCC2CC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H21Cl2NOS/c25-19-10-13-21(22(26)14-19)24(28)27-23(17-4-2-1-3-5-17)18-8-11-20(12-9-18)29-15-16-6-7-16/h1-5,8-14,16,23H,6-7,15H2,(H,27,28)
InChIKeyIFQGERVSLUMHTE-UHFFFAOYSA-N
XLogP7.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.41
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 46433559
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
CID 68576201
2,4-dichloro-N-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-phenylmethyl]benzamide
CID 70842943
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
cyclopropylmethylsulfanylbenzene
CID 579222
2,4-dichloro-N-[1-[(4-ethylcyclohexyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 112816319

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide (CID 143369039) is 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide is O=C(NC(c1ccccc1)c1ccc(SCC2CC2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide?
The InChIKey is IFQGERVSLUMHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NOS/c25-19-10-13-21(22(26)14-19)24(28)27-23(17-4-2-1-3-5-17)18-8-11-20(12-9-18)29-15-16-6-7-16/h1-5,8-14,16,23H,6-7,15H2,(H,27,28).
What are the key properties of 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide?
2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide has a molecular weight of 442.41 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide is sourced from PubChem (CID 143369039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).