N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide

C18H17F2NOS — CID 112816231

IUPACN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1
InChIInChI=1S/C18H17F2NOS/c1-23-16-8-3-12(4-9-16)18(22)21(15-6-7-15)11-13-2-5-14(19)10-17(13)20/h2-5,8-10,15H,6-7,11H2,1H3
InChIKeyRCQMRDOSFNLIOU-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.49
Rot. Bonds5

About N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide (PubChem CID 112816231) has the molecular formula C18H17F2NOS and a molecular weight of 333.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
PubChem CID112816231
Molecular FormulaC18H17F2NOS
Molecular Weight333.40 g/mol
Exact Mass333.10
IUPAC NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1
InChIInChI=1S/C18H17F2NOS/c1-23-16-8-3-12(4-9-16)18(22)21(15-6-7-15)11-13-2-5-14(19)10-17(13)20/h2-5,8-10,15H,6-7,11H2,1H3
InChIKeyRCQMRDOSFNLIOU-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
CID 55761445
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119715290
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985711
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 112816240
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
CID 62838323
N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
CID 54994461
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide (CID 112816231) is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide?
The InChIKey is RCQMRDOSFNLIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NOS/c1-23-16-8-3-12(4-9-16)18(22)21(15-6-7-15)11-13-2-5-14(19)10-17(13)20/h2-5,8-10,15H,6-7,11H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide?
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide has a molecular weight of 333.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 112816231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).