N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide

C28H23N3O3 — CID 38113749

IUPACN-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C28H23N3O3/c29-17-19-9-1-5-13-23(19)30-28(33)22-12-4-8-16-26(22)34-18-27(32)31-24-14-6-2-10-20(24)21-11-3-7-15-25(21)31/h1-2,4-6,8-10,12-14,16H,3,7,11,15,18H2,(H,30,33)
InChIKeyKAVBWZMKJNOTOE-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.36
Rot. Bonds5

About N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide

N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide (PubChem CID 38113749) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide
PubChem CID38113749
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC NameN-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C28H23N3O3/c29-17-19-9-1-5-13-23(19)30-28(33)22-12-4-8-16-26(22)34-18-27(32)31-24-14-6-2-10-20(24)21-11-3-7-15-25(21)31/h1-2,4-6,8-10,12-14,16H,3,7,11,15,18H2,(H,30,33)
InChIKeyKAVBWZMKJNOTOE-UHFFFAOYSA-N
XLogP5.36
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-propoxybenzamide
CID 4947824
N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide
CID 38113246
(2-fluorophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
CID 746851
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-[(2-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355902
2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688
4-fluoro-N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 23095207
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 26516196
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 23861541
4-(2,3-dimethoxyphenyl)-2-[3-oxo-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]sulfanyl-6-phenylpyridine-3-carbonitrile
CID 23861524
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide (CID 38113749) is N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide is N#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)n1c2c(c3ccccc31)CCCC2.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide?
The InChIKey is KAVBWZMKJNOTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c29-17-19-9-1-5-13-23(19)30-28(33)22-12-4-8-16-26(22)34-18-27(32)31-24-14-6-2-10-20(24)21-11-3-7-15-25(21)31/h1-2,4-6,8-10,12-14,16H,3,7,11,15,18H2,(H,30,33).
What are the key properties of N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide?
N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide has a molecular weight of 449.51 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide is sourced from PubChem (CID 38113749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).