(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone

C15H14ClNO — CID 59654986

IUPAC(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C15H14ClNO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9H,2,17H2,1H3
InChIKeyZAJHTTNDFLFFTG-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.72
Rot. Bonds3

About (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone

(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone (PubChem CID 59654986) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
PubChem CID59654986
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C15H14ClNO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9H,2,17H2,1H3
InChIKeyZAJHTTNDFLFFTG-UHFFFAOYSA-N
XLogP3.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466
tert-butyl N-[2-[4-(2-amino-5-chlorobenzoyl)phenyl]ethyl]carbamate
CID 18315378
2-[4-[[4-(2-amino-5-chlorobenzoyl)phenoxy]methyl]phenoxy]acetic acid
CID 172830442
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
[2-(4-ethylanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472473
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
2-amino-4-chloro-N-(4-ethylphenyl)benzamide
CID 28605488
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone (CID 59654986) is (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2cc(Cl)ccc2N)cc1.
What is the InChIKey of (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone?
The InChIKey is ZAJHTTNDFLFFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9H,2,17H2,1H3.
What are the key properties of (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone?
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone has a molecular weight of 259.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 59654986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).