N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide

C9H9ClFNO — CID 177272339

IUPACN-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide
SMILESCc1c(Cl)ccc(CNC=O)c1F
InChIInChI=1S/C9H9ClFNO/c1-6-8(10)3-2-7(9(6)11)4-12-5-13/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyRSSZNXZRGYPULS-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.03
Rot. Bonds3

About N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide

N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide (PubChem CID 177272339) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide
PubChem CID177272339
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC NameN-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide
SMILESCc1c(Cl)ccc(CNC=O)c1F
InChIInChI=1S/C9H9ClFNO/c1-6-8(10)3-2-7(9(6)11)4-12-5-13/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyRSSZNXZRGYPULS-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-fluoro-4-(fluoromethyl)-2-methylbenzene
CID 131213999
N-[(4-chloro-2-fluorophenyl)methyl]formamide
CID 88924911
N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide
CID 123661077
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
N-[[2-methyl-4-(sulfanylmethyl)phenyl]methyl]formamide
CID 166478207
ethyl 2-(4-chloro-3-fluoro-2-methylphenyl)acetate
CID 171030020
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
3-chloro-N-[(2-fluoro-3-nitrophenyl)methyl]-2-methylaniline
CID 107348828
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
CID 118871355
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
CID 175755626
1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene
CID 145259308

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide?
The IUPAC name of N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide (CID 177272339) is N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide.
What is the SMILES notation for N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide?
The canonical SMILES for N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide is Cc1c(Cl)ccc(CNC=O)c1F.
What is the InChIKey of N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide?
The InChIKey is RSSZNXZRGYPULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-6-8(10)3-2-7(9(6)11)4-12-5-13/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide?
N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide has a molecular weight of 201.63 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide is sourced from PubChem (CID 177272339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).