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

C20H15Cl2N3O — CID 171794132

IUPAC2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
SMILESNC(=O)Cc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C20H15Cl2N3O/c21-12-1-4-14(5-2-12)24-15-7-11(8-19(23)26)20-17(10-15)16-9-13(22)3-6-18(16)25-20/h1-7,9-10,24-25H,8H2,(H2,23,26)
InChIKeyNMQCCUCLBBVUEQ-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.40
Rot. Bonds4

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

2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide (PubChem CID 171794132) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
PubChem CID171794132
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
SMILESNC(=O)Cc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C20H15Cl2N3O/c21-12-1-4-14(5-2-12)24-15-7-11(8-19(23)26)20-17(10-15)16-9-13(22)3-6-18(16)25-20/h1-7,9-10,24-25H,8H2,(H2,23,26)
InChIKeyNMQCCUCLBBVUEQ-UHFFFAOYSA-N
XLogP5.40
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine
CID 171793946
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
N'-[2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;N-methylhydroxylamine
CID 171793390
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695
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
2-[2-[6-chloro-3-(2,4-dichloro-5-fluoroanilino)-9H-carbazol-1-yl]ethyl]guanidine;ethane
CID 171793421
2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide
CID 118324045
N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine
CID 156868408
1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine
CID 171794110
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-chloroanilino)-9H-carbazol-1-yl]acetamide?
The IUPAC name of 2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide (CID 171794132) is 2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide is NC(=O)Cc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide?
The InChIKey is NMQCCUCLBBVUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-12-1-4-14(5-2-12)24-15-7-11(8-19(23)26)20-17(10-15)16-9-13(22)3-6-18(16)25-20/h1-7,9-10,24-25H,8H2,(H2,23,26).
What are the key properties of 2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide?
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide has a molecular weight of 384.27 g/mol, XLogP of 5.40, 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-chloroanilino)-9H-carbazol-1-yl]acetamide is sourced from PubChem (CID 171794132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).