N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide

C17H27ClN2O — CID 43690203

IUPACN-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
SMILESCCCCCCCC(C)Nc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C17H27ClN2O/c1-4-5-6-7-8-9-13(2)19-15-10-11-17(16(18)12-15)20-14(3)21/h10-13,19H,4-9H2,1-3H3,(H,20,21)
InChIKeyPSOSDJZIFYZBJI-UHFFFAOYSA-N
MW310.87 g/mol
LogP5.46
Rot. Bonds9

About N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide

N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide (PubChem CID 43690203) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
PubChem CID43690203
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
SMILESCCCCCCCC(C)Nc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C17H27ClN2O/c1-4-5-6-7-8-9-13(2)19-15-10-11-17(16(18)12-15)20-14(3)21/h10-13,19H,4-9H2,1-3H3,(H,20,21)
InChIKeyPSOSDJZIFYZBJI-UHFFFAOYSA-N
XLogP5.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.87
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
CID 43672857
N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
CID 60927482
N-[2-chloro-4-(hexylamino)phenyl]acetamide
CID 43690140
N-[2-chloro-4-(heptylamino)phenyl]acetamide
CID 43690209
3-[2-chloro-4-(hexadecan-2-ylamino)phenyl]-3-oxopropanoic acid
CID 54376544
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
3-chloro-4-methoxy-N-nonan-2-ylaniline
CID 43129722
N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide
CID 43690114
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide (CID 43690203) is N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide is CCCCCCCC(C)Nc1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide?
The InChIKey is PSOSDJZIFYZBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-5-6-7-8-9-13(2)19-15-10-11-17(16(18)12-15)20-14(3)21/h10-13,19H,4-9H2,1-3H3,(H,20,21).
What are the key properties of N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide?
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide has a molecular weight of 310.87 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43690203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).