3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide

C25H21Cl2N3O4 — CID 66604875

IUPAC3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOC(CO)C3)cc12
InChIInChI=1S/C25H21Cl2N3O4/c26-20-3-1-13(10-21(20)27)15-8-18-17-7-14(25(33)30-5-6-34-16(11-30)12-31)2-4-22(17)29-23(18)19(9-15)24(28)32/h1-4,7-10,16,29,31H,5-6,11-12H2,(H2,28,32)
InChIKeyKNYDHOABINLQQR-UHFFFAOYSA-N
MW498.37 g/mol
LogP4.23
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide

3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide (PubChem CID 66604875) has the molecular formula C25H21Cl2N3O4 and a molecular weight of 498.37 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
PubChem CID66604875
Molecular FormulaC25H21Cl2N3O4
Molecular Weight498.37 g/mol
Exact Mass497.09
IUPAC Name3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOC(CO)C3)cc12
InChIInChI=1S/C25H21Cl2N3O4/c26-20-3-1-13(10-21(20)27)15-8-18-17-7-14(25(33)30-5-6-34-16(11-30)12-31)2-4-22(17)29-23(18)19(9-15)24(28)32/h1-4,7-10,16,29,31H,5-6,11-12H2,(H2,28,32)
InChIKeyKNYDHOABINLQQR-UHFFFAOYSA-N
XLogP4.23
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
CID 90383768
CID 90383768
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605501
3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604954
3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide
CID 123332297
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113277915
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 70876141

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide (CID 66604875) is 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide is NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOC(CO)C3)cc12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide?
The InChIKey is KNYDHOABINLQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O4/c26-20-3-1-13(10-21(20)27)15-8-18-17-7-14(25(33)30-5-6-34-16(11-30)12-31)2-4-22(17)29-23(18)19(9-15)24(28)32/h1-4,7-10,16,29,31H,5-6,11-12H2,(H2,28,32).
What are the key properties of 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide?
3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide has a molecular weight of 498.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).