4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide

C18H18Cl2FNO2 — CID 70876689

IUPAC4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)NC(C)CF)ccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2FNO2/c1-11(9-21)22-18(23)12-3-4-17(14(5-12)10-24-2)13-6-15(19)8-16(20)7-13/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyBATUJEOUDBQDKJ-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.89
Rot. Bonds6

About 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide

4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide (PubChem CID 70876689) has the molecular formula C18H18Cl2FNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide
PubChem CID70876689
Molecular FormulaC18H18Cl2FNO2
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)NC(C)CF)ccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2FNO2/c1-11(9-21)22-18(23)12-3-4-17(14(5-12)10-24-2)13-6-15(19)8-16(20)7-13/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyBATUJEOUDBQDKJ-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
CID 158547404
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824
5-(butan-2-ylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65368758
1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one
CID 59165599
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
CID 82879716
methyl 4-(2-chloro-3-fluorophenyl)-3-(methoxymethyl)benzoate
CID 66678433
4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
CID 107020016

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide?
The IUPAC name of 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide (CID 70876689) is 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide?
The canonical SMILES for 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide is COCc1cc(C(=O)NC(C)CF)ccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide?
The InChIKey is BATUJEOUDBQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO2/c1-11(9-21)22-18(23)12-3-4-17(14(5-12)10-24-2)13-6-15(19)8-16(20)7-13/h3-8,11H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide?
4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide has a molecular weight of 370.25 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-N-(1-fluoropropan-2-yl)-3-(methoxymethyl)benzamide is sourced from PubChem (CID 70876689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).