N-[1-(benzylamino)-2,2-dichloroethyl]benzamide

C16H16Cl2N2O — CID 5107752

IUPACN-[1-(benzylamino)-2,2-dichloroethyl]benzamide
SMILESO=C(NC(NCc1ccccc1)C(Cl)Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-14(18)15(19-11-12-7-3-1-4-8-12)20-16(21)13-9-5-2-6-10-13/h1-10,14-15,19H,11H2,(H,20,21)
InChIKeyKVSBJGSYFAQXKV-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.34
Rot. Bonds6

About N-[1-(benzylamino)-2,2-dichloroethyl]benzamide

N-[1-(benzylamino)-2,2-dichloroethyl]benzamide (PubChem CID 5107752) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[1-(benzylamino)-2,2-dichloroethyl]benzamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-2,2-dichloroethyl]benzamide
PubChem CID5107752
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[1-(benzylamino)-2,2-dichloroethyl]benzamide
SMILESO=C(NC(NCc1ccccc1)C(Cl)Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-14(18)15(19-11-12-7-3-1-4-8-12)20-16(21)13-9-5-2-6-10-13/h1-10,14-15,19H,11H2,(H,20,21)
InChIKeyKVSBJGSYFAQXKV-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.34
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)-2,2,2-tribromoethyl]benzamide
CID 2830571
N-[2,2-dichloro-1-(methylamino)ethyl]benzamide
CID 10868605
N-[(1S)-2,2-dichloro-1-[(2-phenylacetyl)amino]ethyl]-4-methylbenzamide
CID 98209072
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[2,2-dichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
CID 4693690
2-amino-2-(benzylamino)acetic acid
CID 142782950
N-[(1S)-1-(benzylamino)-2,2,2-trichloroethyl]-4-nitrobenzamide
CID 7035967
N-(1-chloro-2-oxobutyl)benzamide
CID 13139265
N-(2,2-dichloro-1-methoxyethyl)benzamide
CID 3544420
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-2,2-dichloroethyl]benzamide?
The IUPAC name of N-[1-(benzylamino)-2,2-dichloroethyl]benzamide (CID 5107752) is N-[1-(benzylamino)-2,2-dichloroethyl]benzamide.
What is the SMILES notation for N-[1-(benzylamino)-2,2-dichloroethyl]benzamide?
The canonical SMILES for N-[1-(benzylamino)-2,2-dichloroethyl]benzamide is O=C(NC(NCc1ccccc1)C(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-2,2-dichloroethyl]benzamide?
The InChIKey is KVSBJGSYFAQXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-14(18)15(19-11-12-7-3-1-4-8-12)20-16(21)13-9-5-2-6-10-13/h1-10,14-15,19H,11H2,(H,20,21).
What are the key properties of N-[1-(benzylamino)-2,2-dichloroethyl]benzamide?
N-[1-(benzylamino)-2,2-dichloroethyl]benzamide has a molecular weight of 323.22 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-2,2-dichloroethyl]benzamide is sourced from PubChem (CID 5107752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).