N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide

C16H23ClN2O2 — CID 62382552

IUPACN-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
SMILESCC(OCC1CCCCC1)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-8-7-13(18)9-14(15)17/h7-9,11-12H,2-6,10,18H2,1H3,(H,19,20)
InChIKeyMJIXXGGRTCQOMS-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.85
Rot. Bonds5

About N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide

N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide (PubChem CID 62382552) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
PubChem CID62382552
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
SMILESCC(OCC1CCCCC1)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-8-7-13(18)9-14(15)17/h7-9,11-12H,2-6,10,18H2,1H3,(H,19,20)
InChIKeyMJIXXGGRTCQOMS-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66323873
N-(2-amino-4-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66321735
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 108902549
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(4-amino-2-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447019
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
CID 54943567
N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48521300
2-(cyclopropylmethoxy)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 48530161

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide (CID 62382552) is N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide is CC(OCC1CCCCC1)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide?
The InChIKey is MJIXXGGRTCQOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-8-7-13(18)9-14(15)17/h7-9,11-12H,2-6,10,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide?
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide has a molecular weight of 310.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide is sourced from PubChem (CID 62382552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).