N-[3-(3-chloro-N-methylanilino)propyl]acetamide

C12H17ClN2O — CID 154166795

IUPACN-[3-(3-chloro-N-methylanilino)propyl]acetamide
SMILESCC(=O)NCCCN(C)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-10(16)14-7-4-8-15(2)12-6-3-5-11(13)9-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
InChIKeyFKEKYQRYLVQGBU-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.30
Rot. Bonds5

About N-[3-(3-chloro-N-methylanilino)propyl]acetamide

N-[3-(3-chloro-N-methylanilino)propyl]acetamide (PubChem CID 154166795) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[3-(3-chloro-N-methylanilino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-chloro-N-methylanilino)propyl]acetamide
PubChem CID154166795
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[3-(3-chloro-N-methylanilino)propyl]acetamide
SMILESCC(=O)NCCCN(C)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-10(16)14-7-4-8-15(2)12-6-3-5-11(13)9-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
InChIKeyFKEKYQRYLVQGBU-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 43003068
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
CID 133303992
N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
CID 133303964
N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 70558605
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 43033026
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
N-[3-[[4-[2-(3-chloro-N-methylanilino)pyrimidin-4-yl]-3-methyl-2-pyridinyl]amino]propyl]acetamide
CID 24990529
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-N-methylanilino)propyl]acetamide?
The IUPAC name of N-[3-(3-chloro-N-methylanilino)propyl]acetamide (CID 154166795) is N-[3-(3-chloro-N-methylanilino)propyl]acetamide.
What is the SMILES notation for N-[3-(3-chloro-N-methylanilino)propyl]acetamide?
The canonical SMILES for N-[3-(3-chloro-N-methylanilino)propyl]acetamide is CC(=O)NCCCN(C)c1cccc(Cl)c1.
What is the InChIKey of N-[3-(3-chloro-N-methylanilino)propyl]acetamide?
The InChIKey is FKEKYQRYLVQGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-10(16)14-7-4-8-15(2)12-6-3-5-11(13)9-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(3-chloro-N-methylanilino)propyl]acetamide?
N-[3-(3-chloro-N-methylanilino)propyl]acetamide has a molecular weight of 240.73 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 N-[3-(3-chloro-N-methylanilino)propyl]acetamide is sourced from PubChem (CID 154166795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).