1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine

C22H21ClN4 — CID 171794075

IUPAC1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine
SMILESC=C(N)NCCc1c(Nc2ccc(Cl)cc2)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C22H21ClN4/c1-14(24)25-13-12-19-21(26-16-8-6-15(23)7-9-16)11-10-18-17-4-2-3-5-20(17)27-22(18)19/h2-11,25-27H,1,12-13,24H2
InChIKeyUBNWYHHLSRESGM-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.28
Rot. Bonds6

About 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine

1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine (PubChem CID 171794075) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine
PubChem CID171794075
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine
SMILESC=C(N)NCCc1c(Nc2ccc(Cl)cc2)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C22H21ClN4/c1-14(24)25-13-12-19-21(26-16-8-6-15(23)7-9-16)11-10-18-17-4-2-3-5-20(17)27-22(18)19/h2-11,25-27H,1,12-13,24H2
InChIKeyUBNWYHHLSRESGM-UHFFFAOYSA-N
XLogP5.28
TPSA65.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-phenyl-9H-carbazol-2-amine
CID 178015352
N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine
CID 156868408
1-(2-aminoethyl)-N-(2-chloro-4-methylphenyl)-9H-carbazol-3-amine
CID 171793556
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
4-chloro-N-[2-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)ethyl]benzamide
CID 4049863
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
(4-chlorophenyl)-(1-hydroxy-9H-carbazol-2-yl)methanone
CID 139187068
9H-carbazol-1-ylmethanol
CID 10987211
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180
N-(4-chlorophenyl)-4-iodonaphthalen-1-amine
CID 170664494
2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine
CID 70181806
N-[4-[5-[4-(9H-carbazol-1-ylamino)phenyl]-3,4-diphenylthiophen-2-yl]phenyl]-9H-carbazol-1-amine
CID 139964419

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine (CID 171794075) is 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine is C=C(N)NCCc1c(Nc2ccc(Cl)cc2)ccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine?
The InChIKey is UBNWYHHLSRESGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c1-14(24)25-13-12-19-21(26-16-8-6-15(23)7-9-16)11-10-18-17-4-2-3-5-20(17)27-22(18)19/h2-11,25-27H,1,12-13,24H2.
What are the key properties of 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine?
1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine has a molecular weight of 376.89 g/mol, XLogP of 5.28, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-[2-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]ethene-1,1-diamine is sourced from PubChem (CID 171794075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).