N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide

C17H16ClF2NO3 — CID 55328783

IUPACN-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C17H16ClF2NO3/c1-21(10-11-3-6-13(18)7-4-11)16(22)12-5-8-14(24-17(19)20)15(9-12)23-2/h3-9,17H,10H2,1-2H3
InChIKeyRLZVHXWUGUVPTR-UHFFFAOYSA-N
MW355.77 g/mol
LogP4.22
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide

N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide (PubChem CID 55328783) has the molecular formula C17H16ClF2NO3 and a molecular weight of 355.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
PubChem CID55328783
Molecular FormulaC17H16ClF2NO3
Molecular Weight355.77 g/mol
Exact Mass355.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C17H16ClF2NO3/c1-21(10-11-3-6-13(18)7-4-11)16(22)12-5-8-14(24-17(19)20)15(9-12)23-2/h3-9,17H,10H2,1-2H3
InChIKeyRLZVHXWUGUVPTR-UHFFFAOYSA-N
XLogP4.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.77
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide
CID 669334
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
2-Chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 674895
4-(4-Chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 2843164
4-Chloro-N-(3,4-dimethoxyphenethyl)benzamide
CID 300901
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[3-(piperidin-1-yl)propyl]benzamide
CID 11213445
2-[4-({3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 11329397
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 11329788
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[2-(piperidin-1-yl)ethyl]benzamide
CID 11408346
N-{[4-(aminomethyl)cyclohexyl]methyl}-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 11419907
(E)-N-(3-(2-Fluorophenyl)-2-methylallyl)-3,4-dimethoxy-N-(2-(1-methylpyrrolidin-2-yl)ethyl)benzamide
CID 59052424
N-(2-chlorobenzyl)-1,3-benzodioxole-5-carboxamide
CID 891693

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide (CID 55328783) is N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1OC(F)F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide?
The InChIKey is RLZVHXWUGUVPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO3/c1-21(10-11-3-6-13(18)7-4-11)16(22)12-5-8-14(24-17(19)20)15(9-12)23-2/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide?
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide has a molecular weight of 355.77 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 55328783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).