2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide

C17H19ClN2O — CID 43168069

IUPAC2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
SMILESCN(CCNC(=O)C(Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(15-10-6-3-7-11-15)13-12-19-17(21)16(18)14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,21)
InChIKeyYUEJHFUIAWVOTN-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.22
Rot. Bonds6

About 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide

2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide (PubChem CID 43168069) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
PubChem CID43168069
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
SMILESCN(CCNC(=O)C(Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(15-10-6-3-7-11-15)13-12-19-17(21)16(18)14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,21)
InChIKeyYUEJHFUIAWVOTN-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681
1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
CID 78886133
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
CID 61251084
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 132652946
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide (CID 43168069) is 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide is CN(CCNC(=O)C(Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide?
The InChIKey is YUEJHFUIAWVOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(15-10-6-3-7-11-15)13-12-19-17(21)16(18)14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,21).
What are the key properties of 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide?
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide has a molecular weight of 302.81 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 43168069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).