2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide

C14H17ClN2O2 — CID 113171662

IUPAC2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cccc(Cl)c1C
InChIInChI=1S/C14H17ClN2O2/c1-4-8-16-14(19)9-17(11(3)18)13-7-5-6-12(15)10(13)2/h4-7H,1,8-9H2,2-3H3,(H,16,19)
InChIKeyUNSKFWXFMSIWOP-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.30
Rot. Bonds5

About 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide

2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide (PubChem CID 113171662) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
PubChem CID113171662
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cccc(Cl)c1C
InChIInChI=1S/C14H17ClN2O2/c1-4-8-16-14(19)9-17(11(3)18)13-7-5-6-12(15)10(13)2/h4-7H,1,8-9H2,2-3H3,(H,16,19)
InChIKeyUNSKFWXFMSIWOP-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide
CID 113180076
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-(N-acetyl-2,6-dimethylanilino)-N-prop-2-enylacetamide
CID 113168626
3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
CID 113127011
2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
CID 113168044
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide
CID 113180210
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113171770
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113127582
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113171824

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide (CID 113171662) is 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)=O)c1cccc(Cl)c1C.
What is the InChIKey of 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide?
The InChIKey is UNSKFWXFMSIWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-8-16-14(19)9-17(11(3)18)13-7-5-6-12(15)10(13)2/h4-7H,1,8-9H2,2-3H3,(H,16,19).
What are the key properties of 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide?
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide has a molecular weight of 280.76 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113171662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).