N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide

C14H19ClFNO2 — CID 146146173

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide
SMILESCC(C)(CCO)CN(C=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO2/c1-14(2,6-7-18)9-17(10-19)8-11-4-3-5-12(15)13(11)16/h3-5,10,18H,6-9H2,1-2H3
InChIKeySRBIMEAYTDTRCO-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.85
Rot. Bonds7

About N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide

N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide (PubChem CID 146146173) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide
PubChem CID146146173
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide
SMILESCC(C)(CCO)CN(C=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO2/c1-14(2,6-7-18)9-17(10-19)8-11-4-3-5-12(15)13(11)16/h3-5,10,18H,6-9H2,1-2H3
InChIKeySRBIMEAYTDTRCO-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 102859934
2-[(3-chloro-2-fluorophenyl)methyl-ethylamino]acetic acid
CID 114489081
1-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 102859932
2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 102848138
2-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 102863931
2-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 102863692
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 169245512
(E)-1-(3-chloro-2-fluorophenyl)hex-3-en-2-one
CID 103454419
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide (CID 146146173) is N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide is CC(C)(CCO)CN(C=O)Cc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide?
The InChIKey is SRBIMEAYTDTRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-14(2,6-7-18)9-17(10-19)8-11-4-3-5-12(15)13(11)16/h3-5,10,18H,6-9H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide?
N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide has a molecular weight of 287.76 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide is sourced from PubChem (CID 146146173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).