N-[2-chloro-4-(hexylamino)phenyl]acetamide

C14H21ClN2O — CID 43690140

IUPACN-[2-chloro-4-(hexylamino)phenyl]acetamide
SMILESCCCCCCNc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-6-9-16-12-7-8-14(13(15)10-12)17-11(2)18/h7-8,10,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyOMTXRILNFLDURO-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.29
Rot. Bonds7

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

N-[2-chloro-4-(hexylamino)phenyl]acetamide (PubChem CID 43690140) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[2-chloro-4-(hexylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(hexylamino)phenyl]acetamide
PubChem CID43690140
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[2-chloro-4-(hexylamino)phenyl]acetamide
SMILESCCCCCCNc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-6-9-16-12-7-8-14(13(15)10-12)17-11(2)18/h7-8,10,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyOMTXRILNFLDURO-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-chloro-4-(hexylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-4-(heptylamino)phenyl]acetamide
CID 43690209
N-[5-(hexylamino)-2-methylphenyl]acetamide
CID 43735857
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
1-[2-chloro-4-(hexylcarbamothioylamino)phenyl]-3-hexylthiourea
CID 20787837
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
3-chloro-N-hexyl-4-nitroaniline
CID 80505222
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
2,4-dichloro-N-decylaniline
CID 63489638
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[4-chloro-3-(5-hydroxypentylamino)phenyl]acetamide
CID 111770386

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(hexylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(hexylamino)phenyl]acetamide (CID 43690140) is N-[2-chloro-4-(hexylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(hexylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(hexylamino)phenyl]acetamide is CCCCCCNc1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(hexylamino)phenyl]acetamide?
The InChIKey is OMTXRILNFLDURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-5-6-9-16-12-7-8-14(13(15)10-12)17-11(2)18/h7-8,10,16H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-chloro-4-(hexylamino)phenyl]acetamide?
N-[2-chloro-4-(hexylamino)phenyl]acetamide has a molecular weight of 268.79 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(hexylamino)phenyl]acetamide is sourced from PubChem (CID 43690140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).