2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide

C21H18ClN3O — CID 171793226

IUPAC2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
SMILESCc1ccc(Nc2cc(CC(N)=O)c3[nH]c4ccc(Cl)cc4c3c2)cc1
InChIInChI=1S/C21H18ClN3O/c1-12-2-5-15(6-3-12)24-16-8-13(9-20(23)26)21-18(11-16)17-10-14(22)4-7-19(17)25-21/h2-8,10-11,24-25H,9H2,1H3,(H2,23,26)
InChIKeyDDPHKYCZFNDPHK-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.05
Rot. Bonds4

About 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide

2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide (PubChem CID 171793226) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
PubChem CID171793226
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
SMILESCc1ccc(Nc2cc(CC(N)=O)c3[nH]c4ccc(Cl)cc4c3c2)cc1
InChIInChI=1S/C21H18ClN3O/c1-12-2-5-15(6-3-12)24-16-8-13(9-20(23)26)21-18(11-16)17-10-14(22)4-7-19(17)25-21/h2-8,10-11,24-25H,9H2,1H3,(H2,23,26)
InChIKeyDDPHKYCZFNDPHK-UHFFFAOYSA-N
XLogP5.05
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
CID 171793390
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
CID 174337362
6,7-dichloro-N-(4-chlorophenyl)-1-[2-(4-methylanilino)ethyl]-9H-carbazol-3-amine;methanamine;methanimine
CID 171793962
1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine
CID 171793946
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695
tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate
CID 171793465
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
CID 171793594
1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
CID 171793183
1-[2-[6-chloro-3-(1H-pyrazol-5-ylamino)-9H-carbazol-1-yl]ethyl]-2-methylguanidine
CID 171793896

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide?
The IUPAC name of 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide (CID 171793226) is 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide is Cc1ccc(Nc2cc(CC(N)=O)c3[nH]c4ccc(Cl)cc4c3c2)cc1.
What is the InChIKey of 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide?
The InChIKey is DDPHKYCZFNDPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-12-2-5-15(6-3-12)24-16-8-13(9-20(23)26)21-18(11-16)17-10-14(22)4-7-19(17)25-21/h2-8,10-11,24-25H,9H2,1H3,(H2,23,26).
What are the key properties of 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide?
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide has a molecular weight of 363.85 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide is sourced from PubChem (CID 171793226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).