N-[2,2-dichloro-1-(methylamino)ethyl]benzamide

C10H12Cl2N2O — CID 10868605

IUPACN-[2,2-dichloro-1-(methylamino)ethyl]benzamide
SMILESCNC(NC(=O)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C10H12Cl2N2O/c1-13-9(8(11)12)14-10(15)7-5-3-2-4-6-7/h2-6,8-9,13H,1H3,(H,14,15)
InChIKeyKXWSZNFPPBVFHH-UHFFFAOYSA-N
MW247.13 g/mol
LogP1.77
Rot. Bonds4

About N-[2,2-dichloro-1-(methylamino)ethyl]benzamide

N-[2,2-dichloro-1-(methylamino)ethyl]benzamide (PubChem CID 10868605) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.13 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(methylamino)ethyl]benzamide
PubChem CID10868605
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC NameN-[2,2-dichloro-1-(methylamino)ethyl]benzamide
SMILESCNC(NC(=O)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C10H12Cl2N2O/c1-13-9(8(11)12)14-10(15)7-5-3-2-4-6-7/h2-6,8-9,13H,1H3,(H,14,15)
InChIKeyKXWSZNFPPBVFHH-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(benzylamino)-2,2-dichloroethyl]benzamide
CID 5107752
N-(2,2-dichloro-1-methoxyethyl)benzamide
CID 3544420
N-[2,2-dichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
CID 4693690
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
N-(1-chloro-2-oxobutyl)benzamide
CID 13139265
N-methylbenzamide
CID 11954
N-[(1S)-2,2-dichloro-1-[(2-phenylacetyl)amino]ethyl]-4-methylbenzamide
CID 98209072
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
2,2-dibenzamidoacetic acid
CID 12521150
CID 68891597
CID 68891597
N-(2,2-dichloro-1-isothiocyanatoethyl)benzamide
CID 14667703

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-1-(methylamino)ethyl]benzamide?
The IUPAC name of N-[2,2-dichloro-1-(methylamino)ethyl]benzamide (CID 10868605) is N-[2,2-dichloro-1-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-[2,2-dichloro-1-(methylamino)ethyl]benzamide?
The canonical SMILES for N-[2,2-dichloro-1-(methylamino)ethyl]benzamide is CNC(NC(=O)c1ccccc1)C(Cl)Cl.
What is the InChIKey of N-[2,2-dichloro-1-(methylamino)ethyl]benzamide?
The InChIKey is KXWSZNFPPBVFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-13-9(8(11)12)14-10(15)7-5-3-2-4-6-7/h2-6,8-9,13H,1H3,(H,14,15).
What are the key properties of N-[2,2-dichloro-1-(methylamino)ethyl]benzamide?
N-[2,2-dichloro-1-(methylamino)ethyl]benzamide has a molecular weight of 247.13 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-1-(methylamino)ethyl]benzamide is sourced from PubChem (CID 10868605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).