2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide

C12H14ClNO2 — CID 22405882

IUPAC2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide
SMILESO=C(CCl)N(O)CC1CC1c1ccccc1
InChIInChI=1S/C12H14ClNO2/c13-7-12(15)14(16)8-10-6-11(10)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2
InChIKeyBHXIRDRNXCSTIA-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.25
Rot. Bonds4

About 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide

2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide (PubChem CID 22405882) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide
PubChem CID22405882
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide
SMILESO=C(CCl)N(O)CC1CC1c1ccccc1
InChIInChI=1S/C12H14ClNO2/c13-7-12(15)14(16)8-10-6-11(10)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2
InChIKeyBHXIRDRNXCSTIA-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]urea
CID 15015094
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea
CID 19894152
[methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate
CID 10423720
1-hydroxy-1-[[2-[4-(1-phenylethoxy)phenyl]cyclopropyl]methyl]urea
CID 19894164
N,N-dimethyl-1-[(1S)-2-phenylcyclopropyl]methanamine;1-hydroxy-1-[(2-phenylcyclopropyl)methyl]urea;2-phenylcyclopropane-1-carboxylic acid;(2-phenylcyclopropyl)methanol;N-[[(1S)-2-phenylcyclopropyl]methyl]hydroxylamine
CID 157397339
3-[(2-phenylcyclopropyl)methylamino]propanamide
CID 115919599
[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
CID 135011727
1-(2-phenylcyclopropyl)pentan-3-one
CID 116518251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide (CID 22405882) is 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide is O=C(CCl)N(O)CC1CC1c1ccccc1.
What is the InChIKey of 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide?
The InChIKey is BHXIRDRNXCSTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-7-12(15)14(16)8-10-6-11(10)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2.
What are the key properties of 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide?
2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide has a molecular weight of 239.70 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hydroxy-N-[(2-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 22405882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).