N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide

C4H9ClN2O2 — CID 175674488

IUPACN-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide
SMILESO=NN(CCO)CCCl
InChIInChI=1S/C4H9ClN2O2/c5-1-2-7(6-9)3-4-8/h8H,1-4H2
InChIKeyDIDJMIMZBMOIMP-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.20
Rot. Bonds5

About N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide

N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide (PubChem CID 175674488) has the molecular formula C4H9ClN2O2 and a molecular weight of 152.58 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide
PubChem CID175674488
Molecular FormulaC4H9ClN2O2
Molecular Weight152.58 g/mol
Exact Mass152.04
IUPAC NameN-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide
SMILESO=NN(CCO)CCCl
InChIInChI=1S/C4H9ClN2O2/c5-1-2-7(6-9)3-4-8/h8H,1-4H2
InChIKeyDIDJMIMZBMOIMP-UHFFFAOYSA-N
XLogP0.20
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
CID 3794522
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2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
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2-[2-chloroethyl(propyl)amino]ethanol
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2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide
CID 121222011
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CID 10401535
(2S)-2-amino-4-[2-chloroethyl(nitroso)amino]-4-oxobutanoic acid
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2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide
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3-(2-chloroethyl)-1-[3-[2-chloroethylcarbamoyl(nitroso)amino]propyl]-1-nitrosourea
CID 3049243
[2-chloroethyl(propanoyloxy)amino] propanoate
CID 135313522
4-chloro-N,N-bis(2-hydroxyethyl)butanamide
CID 63307970

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide?
The IUPAC name of N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide (CID 175674488) is N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide?
The canonical SMILES for N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide is O=NN(CCO)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide?
The InChIKey is DIDJMIMZBMOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2O2/c5-1-2-7(6-9)3-4-8/h8H,1-4H2.
What are the key properties of N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide?
N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide has a molecular weight of 152.58 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide is sourced from PubChem (CID 175674488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).