(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone

C18H20ClNO — CID 66258055

IUPAC(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2cc(N)ccc2Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-11-14(20)9-10-16(15)19/h5-11H,4,20H2,1-3H3
InChIKeyOEQRRBZPBBGWAT-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.84
Rot. Bonds4

About (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone

(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone (PubChem CID 66258055) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
PubChem CID66258055
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2cc(N)ccc2Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-11-14(20)9-10-16(15)19/h5-11H,4,20H2,1-3H3
InChIKeyOEQRRBZPBBGWAT-UHFFFAOYSA-N
XLogP4.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66259410
(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 82870554
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
4-chloro-3-[4-(2-methylbutan-2-yl)phenyl]benzoic acid
CID 107990138
(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 106683844
(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 81481916
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone (CID 66258055) is (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone is CCC(C)(C)c1ccc(C(=O)c2cc(N)ccc2Cl)cc1.
What is the InChIKey of (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The InChIKey is OEQRRBZPBBGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-11-14(20)9-10-16(15)19/h5-11H,4,20H2,1-3H3.
What are the key properties of (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone has a molecular weight of 301.82 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone is sourced from PubChem (CID 66258055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).