N-benzyl-3-chloro-N-phenylaniline

C19H16ClN — CID 13283792

IUPACN-benzyl-3-chloro-N-phenylaniline
SMILESClc1cccc(N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H16ClN/c20-17-10-7-13-19(14-17)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16/h1-14H,15H2
InChIKeyCFQPQXHAGRIJCB-UHFFFAOYSA-N
MW293.80 g/mol
LogP5.68
Rot. Bonds4

About N-benzyl-3-chloro-N-phenylaniline

N-benzyl-3-chloro-N-phenylaniline (PubChem CID 13283792) has the molecular formula C19H16ClN and a molecular weight of 293.80 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-phenylaniline.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-phenylaniline
PubChem CID13283792
Molecular FormulaC19H16ClN
Molecular Weight293.80 g/mol
Exact Mass293.10
IUPAC NameN-benzyl-3-chloro-N-phenylaniline
SMILESClc1cccc(N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H16ClN/c20-17-10-7-13-19(14-17)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16/h1-14H,15H2
InChIKeyCFQPQXHAGRIJCB-UHFFFAOYSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.80
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(N-benzyl-3-hydroxyanilino)phenol
CID 86210696
N-butyl-3-chloro-N-phenylaniline
CID 23348476
3-chloro-N,N-bis(2-phenylethyl)aniline
CID 3851845
2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline
CID 174932944
N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
CID 134262974
4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine
CID 129240505
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
N-(3-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 166960066
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545
N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 1203987
1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea
CID 174322403

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-phenylaniline?
The IUPAC name of N-benzyl-3-chloro-N-phenylaniline (CID 13283792) is N-benzyl-3-chloro-N-phenylaniline.
What is the SMILES notation for N-benzyl-3-chloro-N-phenylaniline?
The canonical SMILES for N-benzyl-3-chloro-N-phenylaniline is Clc1cccc(N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzyl-3-chloro-N-phenylaniline?
The InChIKey is CFQPQXHAGRIJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN/c20-17-10-7-13-19(14-17)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16/h1-14H,15H2.
What are the key properties of N-benzyl-3-chloro-N-phenylaniline?
N-benzyl-3-chloro-N-phenylaniline has a molecular weight of 293.80 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-phenylaniline is sourced from PubChem (CID 13283792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).