(2R)-N-(benzhydrylideneamino)-2-chloropropanamide

C16H15ClN2O — CID 1488884

IUPAC(2R)-N-(benzhydrylideneamino)-2-chloropropanamide
SMILESC[C@@H](Cl)C(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15ClN2O/c1-12(17)16(20)19-18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20)/t12-/m1/s1
InChIKeyPYSXPMVOUHMGEC-GFCCVEGCSA-N
MW286.76 g/mol
LogP3.18
Rot. Bonds4

About (2R)-N-(benzhydrylideneamino)-2-chloropropanamide

(2R)-N-(benzhydrylideneamino)-2-chloropropanamide (PubChem CID 1488884) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (2R)-N-(benzhydrylideneamino)-2-chloropropanamide.

Molecular Properties

Compound Name(2R)-N-(benzhydrylideneamino)-2-chloropropanamide
PubChem CID1488884
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(2R)-N-(benzhydrylideneamino)-2-chloropropanamide
SMILESC[C@@H](Cl)C(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15ClN2O/c1-12(17)16(20)19-18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20)/t12-/m1/s1
InChIKeyPYSXPMVOUHMGEC-GFCCVEGCSA-N
XLogP3.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide
CID 3641131
N-(benzhydrylideneamino)-2-(4-methylphenyl)-2-oxoacetamide
CID 134030110
4-(2-benzhydrylidenehydrazinyl)-4-oxobutanoic acid
CID 2063521
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
[5-(2-benzhydrylidenehydrazinyl)-5-oxopentan-2-yl] methanesulfonate
CID 86658326
N-(benzhydrylideneamino)-2-(methoxymethyl)benzamide
CID 39088960
methyl N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]carbamate
CID 60527308
3,5-diacetamido-N-(benzhydrylideneamino)benzamide
CID 46554386
(3S)-N-(benzhydrylideneamino)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95275334
4-(2-benzhydrylidenehydrazinyl)-4-oxobut-2-enoate
CID 7030217
[[(4-benzoylphenyl)-phenylmethylidene]amino]thiourea
CID 78165247

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzhydrylideneamino)-2-chloropropanamide?
The IUPAC name of (2R)-N-(benzhydrylideneamino)-2-chloropropanamide (CID 1488884) is (2R)-N-(benzhydrylideneamino)-2-chloropropanamide.
What is the SMILES notation for (2R)-N-(benzhydrylideneamino)-2-chloropropanamide?
The canonical SMILES for (2R)-N-(benzhydrylideneamino)-2-chloropropanamide is C[C@@H](Cl)C(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(benzhydrylideneamino)-2-chloropropanamide?
The InChIKey is PYSXPMVOUHMGEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-12(17)16(20)19-18-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-N-(benzhydrylideneamino)-2-chloropropanamide?
(2R)-N-(benzhydrylideneamino)-2-chloropropanamide has a molecular weight of 286.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzhydrylideneamino)-2-chloropropanamide is sourced from PubChem (CID 1488884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).