[5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone

C16H11ClN2OSe — CID 177471312

IUPAC[5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc[se]c1Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2OSe/c17-12-6-8-13(9-7-12)19-16-14(18-10-21-16)15(20)11-4-2-1-3-5-11/h1-10,19H
InChIKeyWSXNXPPXMZJREW-UHFFFAOYSA-N
MW361.69 g/mol
LogP3.77
Rot. Bonds4

About [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone

[5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone (PubChem CID 177471312) has the molecular formula C16H11ClN2OSe and a molecular weight of 361.69 g/mol. Its IUPAC name is [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone
PubChem CID177471312
Molecular FormulaC16H11ClN2OSe
Molecular Weight361.69 g/mol
Exact Mass361.97
IUPAC Name[5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc[se]c1Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2OSe/c17-12-6-8-13(9-7-12)19-16-14(18-10-21-16)15(20)11-4-2-1-3-5-11/h1-10,19H
InChIKeyWSXNXPPXMZJREW-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.69
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone
CID 13162445
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
[5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone
CID 44517501
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone?
The IUPAC name of [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone (CID 177471312) is [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1nc[se]c1Nc1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone?
The InChIKey is WSXNXPPXMZJREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OSe/c17-12-6-8-13(9-7-12)19-16-14(18-10-21-16)15(20)11-4-2-1-3-5-11/h1-10,19H.
What are the key properties of [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone?
[5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone has a molecular weight of 361.69 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone is sourced from PubChem (CID 177471312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).