N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide

C17H17F2N3O4 — CID 51122096

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)cc1OC(F)F
InChIInChI=1S/C17H17F2N3O4/c1-25-13-7-4-11(8-14(13)26-16(18)19)15(23)21-9-10-2-5-12(6-3-10)22-17(20)24/h2-8,16H,9H2,1H3,(H,21,23)(H3,20,22,24)
InChIKeyLJJORHCOSVBFLU-UHFFFAOYSA-N
MW365.34 g/mol
LogP2.72
Rot. Bonds7

About N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide

N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 51122096) has the molecular formula C17H17F2N3O4 and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID51122096
Molecular FormulaC17H17F2N3O4
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)cc1OC(F)F
InChIInChI=1S/C17H17F2N3O4/c1-25-13-7-4-11(8-14(13)26-16(18)19)15(23)21-9-10-2-5-12(6-3-10)22-17(20)24/h2-8,16H,9H2,1H3,(H,21,23)(H3,20,22,24)
InChIKeyLJJORHCOSVBFLU-UHFFFAOYSA-N
XLogP2.72
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 46519693
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86995659
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide (CID 51122096) is N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)cc1OC(F)F.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is LJJORHCOSVBFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4/c1-25-13-7-4-11(8-14(13)26-16(18)19)15(23)21-9-10-2-5-12(6-3-10)22-17(20)24/h2-8,16H,9H2,1H3,(H,21,23)(H3,20,22,24).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide?
N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 365.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 51122096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).