2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide

C16H23ClN2O2 — CID 113171553

IUPAC2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-4-10-18(11-5-2)16(21)12-19(13(3)20)15-8-6-14(17)7-9-15/h6-9H,4-5,10-12H2,1-3H3
InChIKeyIQWTWAHFUYOTDS-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.34
Rot. Bonds7

About 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide

2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide (PubChem CID 113171553) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide
PubChem CID113171553
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-4-10-18(11-5-2)16(21)12-19(13(3)20)15-8-6-14(17)7-9-15/h6-9H,4-5,10-12H2,1-3H3
InChIKeyIQWTWAHFUYOTDS-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide
CID 113176880
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide
CID 113178455
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide
CID 113178595
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
CID 113128684
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide?
The IUPAC name of 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide (CID 113171553) is 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide?
The canonical SMILES for 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide?
The InChIKey is IQWTWAHFUYOTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-10-18(11-5-2)16(21)12-19(13(3)20)15-8-6-14(17)7-9-15/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide?
2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide has a molecular weight of 310.83 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide is sourced from PubChem (CID 113171553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).