N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide

C13H14ClN3O — CID 54924873

IUPACN-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESN#Cc1ccc(NC(=O)CNCC2CC2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c14-12-5-11(4-3-10(12)6-15)17-13(18)8-16-7-9-1-2-9/h3-5,9,16H,1-2,7-8H2,(H,17,18)
InChIKeyYSWHYTUPQDUXID-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.15
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide

N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 54924873) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID54924873
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESN#Cc1ccc(NC(=O)CNCC2CC2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c14-12-5-11(4-3-10(12)6-15)17-13(18)8-16-7-9-1-2-9/h3-5,9,16H,1-2,7-8H2,(H,17,18)
InChIKeyYSWHYTUPQDUXID-UHFFFAOYSA-N
XLogP2.15
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066
(2S)-N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)propanamide
CID 67012255
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
ethyl 3-[[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]-(cyclopropylmethyl)amino]propanoate
CID 56526255
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655081
ethyl (3S)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8014435
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065890

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide (CID 54924873) is N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide is N#Cc1ccc(NC(=O)CNCC2CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is YSWHYTUPQDUXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-12-5-11(4-3-10(12)6-15)17-13(18)8-16-7-9-1-2-9/h3-5,9,16H,1-2,7-8H2,(H,17,18).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 263.73 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 54924873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).