N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide

C14H19ClN2O — CID 114305111

IUPACN-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC(Cl)C2CC2)cc1
InChIInChI=1S/C14H19ClN2O/c1-17(2)12-7-5-11(6-8-12)14(18)16-9-13(15)10-3-4-10/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyHBBMXMSNNIEIQG-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.50
Rot. Bonds5

About N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide

N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide (PubChem CID 114305111) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide
PubChem CID114305111
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC(Cl)C2CC2)cc1
InChIInChI=1S/C14H19ClN2O/c1-17(2)12-7-5-11(6-8-12)14(18)16-9-13(15)10-3-4-10/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyHBBMXMSNNIEIQG-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.50
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

N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
CID 113273443
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
(2S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxypropanoic acid
CID 107833075
N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 114305001
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
CID 81064641
2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
CID 114305198
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091
N-(2-chloro-2-cyclopropylethyl)-3-methoxy-4-nitrobenzamide
CID 104784801

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide (CID 114305111) is N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCC(Cl)C2CC2)cc1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide?
The InChIKey is HBBMXMSNNIEIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17(2)12-7-5-11(6-8-12)14(18)16-9-13(15)10-3-4-10/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide?
N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 114305111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).