N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide

C20H19NO2 — CID 143753333

IUPACN-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide
SMILESCOC1=CCCC(NC(=O)c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C20H19NO2/c1-23-19-9-5-8-18(14-19)21-20(22)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-4,6-7,9-14H,5,8H2,1H3,(H,21,22)
InChIKeyBXPNSLKPROAGAH-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.29
Rot. Bonds4

About N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide

N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide (PubChem CID 143753333) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide
PubChem CID143753333
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC NameN-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide
SMILESCOC1=CCCC(NC(=O)c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C20H19NO2/c1-23-19-9-5-8-18(14-19)21-20(22)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-4,6-7,9-14H,5,8H2,1H3,(H,21,22)
InChIKeyBXPNSLKPROAGAH-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
CID 5018775
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 12729541
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide?
The IUPAC name of N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide (CID 143753333) is N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide?
The canonical SMILES for N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide is COC1=CCCC(NC(=O)c2ccc(-c3ccccc3)cc2)=C1.
What is the InChIKey of N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide?
The InChIKey is BXPNSLKPROAGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-19-9-5-8-18(14-19)21-20(22)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-4,6-7,9-14H,5,8H2,1H3,(H,21,22).
What are the key properties of N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide?
N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexa-1,3-dien-1-yl)-4-phenylbenzamide is sourced from PubChem (CID 143753333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).