N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide

C19H15F2NOS — CID 112816240

IUPACN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide
SMILESO=C(c1csc2ccccc12)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C19H15F2NOS/c20-13-6-5-12(17(21)9-13)10-22(14-7-8-14)19(23)16-11-24-18-4-2-1-3-15(16)18/h1-6,9,11,14H,7-8,10H2
InChIKeyCJNKCMNUDIXYCT-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.98
Rot. Bonds4

About N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide (PubChem CID 112816240) has the molecular formula C19H15F2NOS and a molecular weight of 343.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide
PubChem CID112816240
Molecular FormulaC19H15F2NOS
Molecular Weight343.40 g/mol
Exact Mass343.08
IUPAC NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide
SMILESO=C(c1csc2ccccc12)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C19H15F2NOS/c20-13-6-5-12(17(21)9-13)10-22(14-7-8-14)19(23)16-11-24-18-4-2-1-3-15(16)18/h1-6,9,11,14H,7-8,10H2
InChIKeyCJNKCMNUDIXYCT-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetic acid
CID 55012787
3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
CID 55761445
1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 64559645
3-chloro-N-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 112816237
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119715290
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate
CID 61410096
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 56825447
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide (CID 112816240) is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide is O=C(c1csc2ccccc12)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide?
The InChIKey is CJNKCMNUDIXYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NOS/c20-13-6-5-12(17(21)9-13)10-22(14-7-8-14)19(23)16-11-24-18-4-2-1-3-15(16)18/h1-6,9,11,14H,7-8,10H2.
What are the key properties of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide?
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 4.98, 4 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]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 112816240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).