N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide

C16H22ClNO2 — CID 170952512

IUPACN-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide
SMILESCC(C)C(=O)CCCCCc1cc(Cl)cc(NC=O)c1
InChIInChI=1S/C16H22ClNO2/c1-12(2)16(20)7-5-3-4-6-13-8-14(17)10-15(9-13)18-11-19/h8-12H,3-7H2,1-2H3,(H,18,19)
InChIKeyPDWMFOZTVBBDLM-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.24
Rot. Bonds9

About N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide

N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide (PubChem CID 170952512) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide
PubChem CID170952512
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide
SMILESCC(C)C(=O)CCCCCc1cc(Cl)cc(NC=O)c1
InChIInChI=1S/C16H22ClNO2/c1-12(2)16(20)7-5-3-4-6-13-8-14(17)10-15(9-13)18-11-19/h8-12H,3-7H2,1-2H3,(H,18,19)
InChIKeyPDWMFOZTVBBDLM-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-9-phenylnonan-3-one
CID 58366233
2-methyl-7-phenylheptan-3-one
CID 13129845
8-(5-chloro-2-fluoro-3-methoxyphenyl)-2-methyloctan-3-one
CID 176932042
methane;N-(10-methyl-9-oxoundecyl)formamide
CID 176664599
6-(3,4-dimethylphenyl)-2-methylhexan-3-one
CID 64504298
2-methyl-8-(3-methyl-5-propoxyphenyl)octan-3-one
CID 166461243
6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide
CID 170208907
2-methyl-8-(4-methyl-3-propoxyphenyl)octan-3-one
CID 176931601
6-(3-bromophenyl)-2-methylhexan-3-one
CID 64505952
ethene;2-methyl-8-(3-propoxyphenyl)octan-3-one
CID 155707588
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
8-(2-chloro-5-ethoxyphenyl)-2-methyloctan-3-one;ethane
CID 156860614

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide?
The IUPAC name of N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide (CID 170952512) is N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide.
What is the SMILES notation for N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide?
The canonical SMILES for N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide is CC(C)C(=O)CCCCCc1cc(Cl)cc(NC=O)c1.
What is the InChIKey of N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide?
The InChIKey is PDWMFOZTVBBDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12(2)16(20)7-5-3-4-6-13-8-14(17)10-15(9-13)18-11-19/h8-12H,3-7H2,1-2H3,(H,18,19).
What are the key properties of N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide?
N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide has a molecular weight of 295.81 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide is sourced from PubChem (CID 170952512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).