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

C12H17ClN2O — CID 43168070

IUPAC2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCC(Cl)C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C12H17ClN2O/c1-10(13)12(16)14-8-9-15(2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyCHMOLAMMHXFLOL-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.87
Rot. Bonds5

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

2-chloro-N-[2-(N-methylanilino)ethyl]propanamide (PubChem CID 43168070) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(N-methylanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
PubChem CID43168070
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCC(Cl)C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C12H17ClN2O/c1-10(13)12(16)14-8-9-15(2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyCHMOLAMMHXFLOL-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.87
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]-2-phenylacetamide
CID 43168069
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 132652946
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
CID 104908153
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132659087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(N-methylanilino)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(N-methylanilino)ethyl]propanamide (CID 43168070) is 2-chloro-N-[2-(N-methylanilino)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(N-methylanilino)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(N-methylanilino)ethyl]propanamide is CC(Cl)C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(N-methylanilino)ethyl]propanamide?
The InChIKey is CHMOLAMMHXFLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-10(13)12(16)14-8-9-15(2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-[2-(N-methylanilino)ethyl]propanamide?
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide has a molecular weight of 240.73 g/mol, XLogP of 1.87, 5 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]propanamide is sourced from PubChem (CID 43168070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).