3-chloro-N,N-diphenyl-1-benzofuran-5-amine

C20H14ClNO — CID 166502016

IUPAC3-chloro-N,N-diphenyl-1-benzofuran-5-amine
SMILESClc1coc2ccc(N(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C20H14ClNO/c21-19-14-23-20-12-11-17(13-18(19)20)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKeyZGMMCZAIFMZMLK-UHFFFAOYSA-N
MW319.79 g/mol
LogP6.56
Rot. Bonds3

About 3-chloro-N,N-diphenyl-1-benzofuran-5-amine

3-chloro-N,N-diphenyl-1-benzofuran-5-amine (PubChem CID 166502016) has the molecular formula C20H14ClNO and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-chloro-N,N-diphenyl-1-benzofuran-5-amine.

Molecular Properties

Compound Name3-chloro-N,N-diphenyl-1-benzofuran-5-amine
PubChem CID166502016
Molecular FormulaC20H14ClNO
Molecular Weight319.79 g/mol
Exact Mass319.08
IUPAC Name3-chloro-N,N-diphenyl-1-benzofuran-5-amine
SMILESClc1coc2ccc(N(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C20H14ClNO/c21-19-14-23-20-12-11-17(13-18(19)20)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKeyZGMMCZAIFMZMLK-UHFFFAOYSA-N
XLogP6.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.79
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-N,N-diphenyldibenzofuran-2-amine
CID 139422567
N,N-diphenyldibenzofuran-2-amine
CID 58038469
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine
CID 155173021
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189551
6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032207
N-(4-chlorophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 142730139
3-N-(1-benzofuran-3-yl)-2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 146643061
N,N-diphenyl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121638
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diphenyl-1-benzofuran-5-amine?
The IUPAC name of 3-chloro-N,N-diphenyl-1-benzofuran-5-amine (CID 166502016) is 3-chloro-N,N-diphenyl-1-benzofuran-5-amine.
What is the SMILES notation for 3-chloro-N,N-diphenyl-1-benzofuran-5-amine?
The canonical SMILES for 3-chloro-N,N-diphenyl-1-benzofuran-5-amine is Clc1coc2ccc(N(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of 3-chloro-N,N-diphenyl-1-benzofuran-5-amine?
The InChIKey is ZGMMCZAIFMZMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO/c21-19-14-23-20-12-11-17(13-18(19)20)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 3-chloro-N,N-diphenyl-1-benzofuran-5-amine?
3-chloro-N,N-diphenyl-1-benzofuran-5-amine has a molecular weight of 319.79 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diphenyl-1-benzofuran-5-amine is sourced from PubChem (CID 166502016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).