2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide

C14H21ClN2O — CID 62640904

IUPAC2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
SMILESCC(C)N(C)CCNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H21ClN2O/c1-11(2)17(3)10-9-16-14(18)13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)
InChIKeySQOGDBCYBBJLDO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.42
Rot. Bonds6

About 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide

2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide (PubChem CID 62640904) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
PubChem CID62640904
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
SMILESCC(C)N(C)CCNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H21ClN2O/c1-11(2)17(3)10-9-16-14(18)13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)
InChIKeySQOGDBCYBBJLDO-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.42
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
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
CID 61251084
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61251247
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
CID 43310552
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide (CID 62640904) is 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide is CC(C)N(C)CCNC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide?
The InChIKey is SQOGDBCYBBJLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(2)17(3)10-9-16-14(18)13(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide?
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide has a molecular weight of 268.79 g/mol, XLogP of 2.42, 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-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 62640904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).