N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide

C16H22ClN3O3 — CID 3400010

IUPACN-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CCCCC1
InChIInChI=1S/C16H22ClN3O3/c1-11(19(2)12-6-4-3-5-7-12)16(21)18-15-9-8-13(20(22)23)10-14(15)17/h8-12H,3-7H2,1-2H3,(H,18,21)
InChIKeyURWQUCWFNDNCDE-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.84
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide

N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide (PubChem CID 3400010) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide
PubChem CID3400010
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CCCCC1
InChIInChI=1S/C16H22ClN3O3/c1-11(19(2)12-6-4-3-5-7-12)16(21)18-15-9-8-13(20(22)23)10-14(15)17/h8-12H,3-7H2,1-2H3,(H,18,21)
InChIKeyURWQUCWFNDNCDE-UHFFFAOYSA-N
XLogP3.84
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
CID 43266814
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503669
N-(2-chloro-4-nitrophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide
CID 55558194
3-(2-chloro-5-nitrophenyl)-1-cyclohexyl-1-methylthiourea
CID 7942200
N-(2-chloro-4-nitrophenyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 42963738
trans-(1S,2S)-2-[(2-chloro-4-nitrophenyl)carbamoylamino]cycloheptane-1-carboxamide
CID 96540285

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide (CID 3400010) is N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C1CCCCC1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide?
The InChIKey is URWQUCWFNDNCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-11(19(2)12-6-4-3-5-7-12)16(21)18-15-9-8-13(20(22)23)10-14(15)17/h8-12H,3-7H2,1-2H3,(H,18,21).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide?
N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide has a molecular weight of 339.82 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide is sourced from PubChem (CID 3400010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).