3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

C25H22FN3O3 — CID 66604597

IUPAC3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCc1cc(F)ccc1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2c1
InChIInChI=1S/C25H22FN3O3/c1-14-10-17(26)3-5-18(14)16-11-20-19-4-2-15(25(31)29-6-8-32-9-7-29)13-22(19)28-23(20)21(12-16)24(27)30/h2-5,10-13,28H,6-9H2,1H3,(H2,27,30)
InChIKeyVHTBMYUAADPODA-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.01
Rot. Bonds3

About 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604597) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604597
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCc1cc(F)ccc1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2c1
InChIInChI=1S/C25H22FN3O3/c1-14-10-17(26)3-5-18(14)16-11-20-19-4-2-15(25(31)29-6-8-32-9-7-29)13-22(19)28-23(20)21(12-16)24(27)30/h2-5,10-13,28H,6-9H2,1H3,(H2,27,30)
InChIKeyVHTBMYUAADPODA-UHFFFAOYSA-N
XLogP4.01
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605501
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
CID 66605414
7-(morpholine-4-carbonyl)-3-(2-phenylethenyl)-9H-carbazole-1-carboxamide
CID 66605058
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232
CID 90383768
CID 90383768
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate
CID 66604497
3-(2-methoxyphenyl)-7-[4-(2-methylpropyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 174744783
2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 89054047
[8-methyl-6-[(E)-2-phenylethenyl]-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 175270355
tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate
CID 174644318

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66604597) is 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is Cc1cc(F)ccc1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2c1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is VHTBMYUAADPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-14-10-17(26)3-5-18(14)16-11-20-19-4-2-15(25(31)29-6-8-32-9-7-29)13-22(19)28-23(20)21(12-16)24(27)30/h2-5,10-13,28H,6-9H2,1H3,(H2,27,30).
What are the key properties of 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).