2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide

C16H16Cl2N2O — CID 43738512

IUPAC2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccccc1CC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-6-7-13(17)14(18)8-11)20-15-5-3-2-4-12(15)9-16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21)
InChIKeyMRLDTFXBDRYHSX-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.19
Rot. Bonds5

About 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide

2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide (PubChem CID 43738512) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
PubChem CID43738512
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccccc1CC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-6-7-13(17)14(18)8-11)20-15-5-3-2-4-12(15)9-16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21)
InChIKeyMRLDTFXBDRYHSX-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dichlorophenyl)ethylamino]benzoic acid
CID 43139536
2-[2-[(3,4-dichlorophenyl)methylamino]phenyl]acetamide
CID 43738436
2-[2-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738545
2-[2-[1-(2,5-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738423
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide
CID 82964143
2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide
CID 113354885
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide?
The IUPAC name of 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide (CID 43738512) is 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide is CC(Nc1ccccc1CC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide?
The InChIKey is MRLDTFXBDRYHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(11-6-7-13(17)14(18)8-11)20-15-5-3-2-4-12(15)9-16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21).
What are the key properties of 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide?
2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide has a molecular weight of 323.22 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 43738512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).