N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide

C13H17ClN2O2 — CID 113313241

IUPACN-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide
SMILESO=C(CNCC1(CO)CC1)Nc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-10-3-1-2-4-11(10)16-12(18)7-15-8-13(9-17)5-6-13/h1-4,15,17H,5-9H2,(H,16,18)
InChIKeyNYZMNCYLSCCDGD-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.64
Rot. Bonds6

About N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide

N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide (PubChem CID 113313241) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide
PubChem CID113313241
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide
SMILESO=C(CNCC1(CO)CC1)Nc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-10-3-1-2-4-11(10)16-12(18)7-15-8-13(9-17)5-6-13/h1-4,15,17H,5-9H2,(H,16,18)
InChIKeyNYZMNCYLSCCDGD-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65123307
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
2-[1-[[2-(2-chloroanilino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65443269
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(2-chlorophenyl)-2-[(4-hydroxy-2-methylbutyl)amino]acetamide
CID 66089065
N-(4-chlorophenyl)-2-[(1-ethylcyclopropyl)methylamino]acetamide
CID 114099958
N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895695
N-(2-chlorophenyl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579213
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80711817
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide (CID 113313241) is N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide is O=C(CNCC1(CO)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide?
The InChIKey is NYZMNCYLSCCDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-3-1-2-4-11(10)16-12(18)7-15-8-13(9-17)5-6-13/h1-4,15,17H,5-9H2,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide?
N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide has a molecular weight of 268.74 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide is sourced from PubChem (CID 113313241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).