N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide

C14H14Cl2N2O2 — CID 56784314

IUPACN-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide
SMILESN#CC(NC(=O)COCC1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-11-3-1-2-10(14(11)16)12(6-17)18-13(19)8-20-7-9-4-5-9/h1-3,9,12H,4-5,7-8H2,(H,18,19)
InChIKeyHHDCQQQKOMTGRU-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.10
Rot. Bonds6

About N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide

N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide (PubChem CID 56784314) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide.

Molecular Properties

Compound NameN-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide
PubChem CID56784314
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC NameN-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide
SMILESN#CC(NC(=O)COCC1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-11-3-1-2-10(14(11)16)12(6-17)18-13(19)8-20-7-9-4-5-9/h1-3,9,12H,4-5,7-8H2,(H,18,19)
InChIKeyHHDCQQQKOMTGRU-UHFFFAOYSA-N
XLogP3.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyano-(2,3-dichlorophenyl)methyl]-3-methoxy-2,2-dimethylpropanamide
CID 124593522
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide
CID 124593537
N-[cyano-(2,3-dichlorophenyl)methyl]hexa-2,4-dienamide
CID 72689361
N-[cyano-(2,3-dichlorophenyl)methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166287454
4-[[(2-chlorophenyl)-cyanomethyl]amino]-4-oxobutanoic acid
CID 70211689
N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
CID 124606737
N-[cyano-(2,3-dichlorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 122134746
2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
CID 47036707
N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide
CID 99818947
N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 56785344
2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide
CID 95150141

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide?
The IUPAC name of N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide (CID 56784314) is N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide.
What is the SMILES notation for N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide?
The canonical SMILES for N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide is N#CC(NC(=O)COCC1CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide?
The InChIKey is HHDCQQQKOMTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-11-3-1-2-10(14(11)16)12(6-17)18-13(19)8-20-7-9-4-5-9/h1-3,9,12H,4-5,7-8H2,(H,18,19).
What are the key properties of N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide?
N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide has a molecular weight of 313.18 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,3-dichlorophenyl)methyl]-2-(cyclopropylmethoxy)acetamide is sourced from PubChem (CID 56784314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).