4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide

C17H23F2NO3 — CID 11919951

IUPAC4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1OC(F)F
InChIInChI=1S/C17H23F2NO3/c1-10-5-4-6-13(11(10)2)20-16(21)12-7-8-14(23-17(18)19)15(9-12)22-3/h7-11,13,17H,4-6H2,1-3H3,(H,20,21)/t10-,11+,13+/m0/s1
InChIKeyVNXHRHGPXFGWBT-DMDPSCGWSA-N
MW327.37 g/mol
LogP3.85
Rot. Bonds5

About 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide (PubChem CID 11919951) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide
PubChem CID11919951
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1OC(F)F
InChIInChI=1S/C17H23F2NO3/c1-10-5-4-6-13(11(10)2)20-16(21)12-7-8-14(23-17(18)19)15(9-12)22-3/h7-11,13,17H,4-6H2,1-3H3,(H,20,21)/t10-,11+,13+/m0/s1
InChIKeyVNXHRHGPXFGWBT-DMDPSCGWSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide with MolForge

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Related Compounds

3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
N-[[4-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23769204
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11929269
1-[(3,4-dimethoxybenzoyl)amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11946300
1-[(3,4-dimethoxybenzoyl)amino]-3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946299
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 11920818
3-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4,5-dimethoxybenzamide
CID 7887810
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
methyl 4-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 11923909
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide (CID 11919951) is 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide is COc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide?
The InChIKey is VNXHRHGPXFGWBT-DMDPSCGWSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-10-5-4-6-13(11(10)2)20-16(21)12-7-8-14(23-17(18)19)15(9-12)22-3/h7-11,13,17H,4-6H2,1-3H3,(H,20,21)/t10-,11+,13+/m0/s1.
What are the key properties of 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide has a molecular weight of 327.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide is sourced from PubChem (CID 11919951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).