(2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone

C14H16ClF2NO — CID 604891

IUPAC(2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCC(C)CC2)c1Cl
InChIInChI=1S/C14H16ClF2NO/c1-8-3-5-18(6-4-8)14(19)11-12(15)9(2)7-10(16)13(11)17/h7-8H,3-6H2,1-2H3
InChIKeyWJJUUUMYJRYAGW-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.80
Rot. Bonds1

About (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone

(2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 604891) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID604891
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name(2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCC(C)CC2)c1Cl
InChIInChI=1S/C14H16ClF2NO/c1-8-3-5-18(6-4-8)14(19)11-12(15)9(2)7-10(16)13(11)17/h7-8H,3-6H2,1-2H3
InChIKeyWJJUUUMYJRYAGW-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide
CID 6470536
(2-Chloro-6-fluorophenyl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 17127018
(2,4-Dichloro-phenyl)-(3-trifluoromethyl-piperidin-1-yl)-methanone
CID 599579
2-chloro-N-cyclohexyl-N-methylbenzamide
CID 306655
(4-Benzylpiperidin-1-yl)(2-chlorophenyl)methanone
CID 667590
2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 155516318
1-(4-Chlorobenzoyl)-3,5-dimethylpiperidine
CID 2843209
Cambridge id 5104170
CID 744426
Cambridge id 5846692
CID 876193
2-Chloro-4,5-difluorophenyl 4-(2-phenylethyl)piperazinyl ketone
CID 1244283
2-chloro-N-cyclopropyl-5,6-difluoro-3-methylbenzamide
CID 2217903
N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2679569

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 604891) is (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone is Cc1cc(F)c(F)c(C(=O)N2CCC(C)CC2)c1Cl.
What is the InChIKey of (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WJJUUUMYJRYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO/c1-8-3-5-18(6-4-8)14(19)11-12(15)9(2)7-10(16)13(11)17/h7-8H,3-6H2,1-2H3.
What are the key properties of (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
(2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 287.74 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5,6-difluoro-3-methylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 604891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).