4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide

C23H19ClN2O3 — CID 60599216

IUPAC4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c1-28-22-14-18(23(27)26-20-9-4-16(5-10-20)12-13-25)6-11-21(22)29-15-17-2-7-19(24)8-3-17/h2-11,14H,12,15H2,1H3,(H,26,27)
InChIKeyMYNHZCZPNLSGGV-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.25
Rot. Bonds7

About 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide

4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide (PubChem CID 60599216) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
PubChem CID60599216
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c1-28-22-14-18(23(27)26-20-9-4-16(5-10-20)12-13-25)6-11-21(22)29-15-17-2-7-19(24)8-3-17/h2-11,14H,12,15H2,1H3,(H,26,27)
InChIKeyMYNHZCZPNLSGGV-UHFFFAOYSA-N
XLogP5.25
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
CID 55959946
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3489384
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide (CID 60599216) is 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide?
The InChIKey is MYNHZCZPNLSGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-28-22-14-18(23(27)26-20-9-4-16(5-10-20)12-13-25)6-11-21(22)29-15-17-2-7-19(24)8-3-17/h2-11,14H,12,15H2,1H3,(H,26,27).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide?
4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide has a molecular weight of 406.87 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 60599216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).