4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide

C20H18N2O — CID 123774069

IUPAC4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide
SMILESNC(=O)c1ccc(Cn2c3c(c4ccccc42)CCC=C3)cc1
InChIInChI=1S/C20H18N2O/c21-20(23)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1,3-5,7-12H,2,6,13H2,(H2,21,23)
InChIKeyQJUMFTXHWHTTEW-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.75
Rot. Bonds3

About 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide

4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide (PubChem CID 123774069) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide
PubChem CID123774069
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide
SMILESNC(=O)c1ccc(Cn2c3c(c4ccccc42)CCC=C3)cc1
InChIInChI=1S/C20H18N2O/c21-20(23)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1,3-5,7-12H,2,6,13H2,(H2,21,23)
InChIKeyQJUMFTXHWHTTEW-UHFFFAOYSA-N
XLogP3.75
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
CID 51049466
9-prop-2-enyl-3,4-dihydrocarbazole
CID 163625647
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451
9-prop-1-en-2-yl-3,4-dihydrocarbazole
CID 155237406
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
4-(pyrrol-1-ylmethyl)benzamide
CID 63371533
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
(9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 123521108
5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one
CID 58388742
2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118983962
9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole
CID 71125181
11,12-dimethyl-7,8-dihydroindolo[2,3-a]carbazole
CID 163716451

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide?
The IUPAC name of 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide (CID 123774069) is 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide?
The canonical SMILES for 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide is NC(=O)c1ccc(Cn2c3c(c4ccccc42)CCC=C3)cc1.
What is the InChIKey of 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide?
The InChIKey is QJUMFTXHWHTTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c21-20(23)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1,3-5,7-12H,2,6,13H2,(H2,21,23).
What are the key properties of 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide?
4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide has a molecular weight of 302.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide is sourced from PubChem (CID 123774069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).