2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide

C14H21ClN2O2 — CID 39385075

IUPAC2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-11(2)19-9-3-8-16-14(18)10-17-13-6-4-12(15)5-7-13/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyPLMVMCMSBPNQPJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.68
Rot. Bonds8

About 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide

2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 39385075) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID39385075
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-11(2)19-9-3-8-16-14(18)10-17-13-6-4-12(15)5-7-13/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyPLMVMCMSBPNQPJ-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39378966
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39364235
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide
CID 126392224
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 17455384
4-chloro-N-[(2R)-3-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)butan-2-yl]benzamide
CID 2510831
N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
CID 54834375

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide (CID 39385075) is 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is PLMVMCMSBPNQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(2)19-9-3-8-16-14(18)10-17-13-6-4-12(15)5-7-13/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide?
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 284.79 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 39385075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).