2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide

C10H14ClN3OS — CID 90704694

IUPAC2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide
SMILESNNC(SCNC(=O)CCl)c1ccccc1
InChIInChI=1S/C10H14ClN3OS/c11-6-9(15)13-7-16-10(14-12)8-4-2-1-3-5-8/h1-5,10,14H,6-7,12H2,(H,13,15)
InChIKeyYKLPEEGTTLGRIK-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.19
Rot. Bonds6

About 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide

2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide (PubChem CID 90704694) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide
PubChem CID90704694
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide
SMILESNNC(SCNC(=O)CCl)c1ccccc1
InChIInChI=1S/C10H14ClN3OS/c11-6-9(15)13-7-16-10(14-12)8-4-2-1-3-5-8/h1-5,10,14H,6-7,12H2,(H,13,15)
InChIKeyYKLPEEGTTLGRIK-UHFFFAOYSA-N
XLogP1.19
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide
CID 57036315
2-chloro-N-(4,4-diphenylbutyl)acetamide
CID 69448505
N-(3-anilino-3-phenylpropyl)-2-chloroacetamide
CID 13121261
2-chloro-N-(2-phenylpropylcarbamoyl)acetamide
CID 104592070
2-hydrazinyl-2-phenylacetyl chloride
CID 55280591
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
CID 146094450
1-(2-chloroethyl)-3-(1-phenylprop-2-ynyl)urea
CID 57429817
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide?
The IUPAC name of 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide (CID 90704694) is 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide?
The canonical SMILES for 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide is NNC(SCNC(=O)CCl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide?
The InChIKey is YKLPEEGTTLGRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c11-6-9(15)13-7-16-10(14-12)8-4-2-1-3-5-8/h1-5,10,14H,6-7,12H2,(H,13,15).
What are the key properties of 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide?
2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide has a molecular weight of 259.76 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[hydrazinyl(phenyl)methyl]sulfanylmethyl]acetamide is sourced from PubChem (CID 90704694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).