3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide

C19H21ClFNO3 — CID 112792591

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H21ClFNO3/c1-4-9-25-18-16(20)10-14(11-17(18)24-3)19(23)22(2)12-13-5-7-15(21)8-6-13/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyUQXYDSLDIQGABN-UHFFFAOYSA-N
MW365.83 g/mol
LogP4.55
Rot. Bonds7

About 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide

3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide (PubChem CID 112792591) has the molecular formula C19H21ClFNO3 and a molecular weight of 365.83 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
PubChem CID112792591
Molecular FormulaC19H21ClFNO3
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H21ClFNO3/c1-4-9-25-18-16(20)10-14(11-17(18)24-3)19(23)22(2)12-13-5-7-15(21)8-6-13/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyUQXYDSLDIQGABN-UHFFFAOYSA-N
XLogP4.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide
CID 26972977
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232
N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
CID 55358457
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55344331
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
CID 18136436
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 60587424
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 43010545
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide (CID 112792591) is 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide?
The InChIKey is UQXYDSLDIQGABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO3/c1-4-9-25-18-16(20)10-14(11-17(18)24-3)19(23)22(2)12-13-5-7-15(21)8-6-13/h5-8,10-11H,4,9,12H2,1-3H3.
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide?
3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide has a molecular weight of 365.83 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide is sourced from PubChem (CID 112792591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).