2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide

C13H14ClN3O — CID 113407706

IUPAC2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(C#N)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C13H14ClN3O/c1-8(13(18)17-10-3-4-10)16-12-5-2-9(7-15)6-11(12)14/h2,5-6,8,10,16H,3-4H2,1H3,(H,17,18)
InChIKeyRCXOKHYGNQRYBB-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide

2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide (PubChem CID 113407706) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide
PubChem CID113407706
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(C#N)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C13H14ClN3O/c1-8(13(18)17-10-3-4-10)16-12-5-2-9(7-15)6-11(12)14/h2,5-6,8,10,16H,3-4H2,1H3,(H,17,18)
InChIKeyRCXOKHYGNQRYBB-UHFFFAOYSA-N
XLogP2.29
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
(2S)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795882
(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795883
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
3-chloro-4-[(4-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107807559
2-(2-chloro-4-cyanoanilino)-3-methylbutanamide
CID 106345598
3-chloro-4-(dicyclopropylmethylamino)benzonitrile
CID 63094126
3-chloro-4-(3-methylbutan-2-ylamino)benzonitrile
CID 55180669
(2R)-2-[(2-chloro-4-cyanophenyl)carbamoylamino]propanoic acid
CID 107809286
2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide
CID 107807783
2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide
CID 54936564

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide (CID 113407706) is 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide is CC(Nc1ccc(C#N)cc1Cl)C(=O)NC1CC1.
What is the InChIKey of 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide?
The InChIKey is RCXOKHYGNQRYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8(13(18)17-10-3-4-10)16-12-5-2-9(7-15)6-11(12)14/h2,5-6,8,10,16H,3-4H2,1H3,(H,17,18).
What are the key properties of 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide?
2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide has a molecular weight of 263.73 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 113407706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).