N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide

C16H23ClN2O2 — CID 28549857

IUPACN-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCCOC1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c17-12-8-9-15(14(18)11-12)19-16(20)7-4-10-21-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,18H2,(H,19,20)
InChIKeyUGPXBIHNPRQPCY-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.99
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide

N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide (PubChem CID 28549857) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
PubChem CID28549857
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCCOC1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c17-12-8-9-15(14(18)11-12)19-16(20)7-4-10-21-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,18H2,(H,19,20)
InChIKeyUGPXBIHNPRQPCY-UHFFFAOYSA-N
XLogP3.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200088
4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63826034
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-5-chlorophenyl)-2-cycloheptyloxyacetamide
CID 61069352
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
CID 62116305

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide (CID 28549857) is N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide is Nc1cc(Cl)ccc1NC(=O)CCCOC1CCCCC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide?
The InChIKey is UGPXBIHNPRQPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-12-8-9-15(14(18)11-12)19-16(20)7-4-10-21-13-5-2-1-3-6-13/h8-9,11,13H,1-7,10,18H2,(H,19,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide?
N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide has a molecular weight of 310.82 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide is sourced from PubChem (CID 28549857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).