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-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 19464591
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31235284
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420

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).