(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone

C14H10ClF2NO — CID 82773780

IUPAC(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
SMILESCc1cc(C(=O)c2cc(F)c(Cl)cc2F)ccc1N
InChIInChI=1S/C14H10ClF2NO/c1-7-4-8(2-3-13(7)18)14(19)9-5-12(17)10(15)6-11(9)16/h2-6H,18H2,1H3
InChIKeyUSRKAZURWFLKLV-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.74
Rot. Bonds2

About (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone

(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone (PubChem CID 82773780) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
PubChem CID82773780
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC Name(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
SMILESCc1cc(C(=O)c2cc(F)c(Cl)cc2F)ccc1N
InChIInChI=1S/C14H10ClF2NO/c1-7-4-8(2-3-13(7)18)14(19)9-5-12(17)10(15)6-11(9)16/h2-6H,18H2,1H3
InChIKeyUSRKAZURWFLKLV-UHFFFAOYSA-N
XLogP3.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
CID 10515712
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 82772594
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone (CID 82773780) is (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone is Cc1cc(C(=O)c2cc(F)c(Cl)cc2F)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The InChIKey is USRKAZURWFLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c1-7-4-8(2-3-13(7)18)14(19)9-5-12(17)10(15)6-11(9)16/h2-6H,18H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone?
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone has a molecular weight of 281.69 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone is sourced from PubChem (CID 82773780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).