4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide

C20H21F2N3O3 — CID 39913342

IUPAC4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H21F2N3O3/c1-25(12-13-2-10-17(11-3-13)28-19(21)22)18(26)14-4-6-15(7-5-14)23-20(27)24-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H2,23,24,27)
InChIKeyBWXCSSIOEPWHBC-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.84
Rot. Bonds7

About 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide

4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide (PubChem CID 39913342) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide
PubChem CID39913342
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H21F2N3O3/c1-25(12-13-2-10-17(11-3-13)28-19(21)22)18(26)14-4-6-15(7-5-14)23-20(27)24-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H2,23,24,27)
InChIKeyBWXCSSIOEPWHBC-UHFFFAOYSA-N
XLogP3.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylthiourea
CID 8770320
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55518274
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
4-(cyclopropylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55665974
3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
CID 37344285
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 86907053
N-[4-[2-[[N-[[4-(difluoromethoxy)phenyl]methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111287683
1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049667

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide (CID 39913342) is 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide?
The InChIKey is BWXCSSIOEPWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-25(12-13-2-10-17(11-3-13)28-19(21)22)18(26)14-4-6-15(7-5-14)23-20(27)24-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H2,23,24,27).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide?
4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide has a molecular weight of 389.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 39913342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).