5-amino-2-(2-chloro-4-cyanoanilino)benzamide

C14H11ClN4O — CID 107809740

IUPAC5-amino-2-(2-chloro-4-cyanoanilino)benzamide
SMILESN#Cc1ccc(Nc2ccc(N)cc2C(N)=O)c(Cl)c1
InChIInChI=1S/C14H11ClN4O/c15-11-5-8(7-16)1-3-13(11)19-12-4-2-9(17)6-10(12)14(18)20/h1-6,19H,17H2,(H2,18,20)
InChIKeyREKSGCMRQRVYAT-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-2-(2-chloro-4-cyanoanilino)benzamide

5-amino-2-(2-chloro-4-cyanoanilino)benzamide (PubChem CID 107809740) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-4-cyanoanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-chloro-4-cyanoanilino)benzamide
PubChem CID107809740
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name5-amino-2-(2-chloro-4-cyanoanilino)benzamide
SMILESN#Cc1ccc(Nc2ccc(N)cc2C(N)=O)c(Cl)c1
InChIInChI=1S/C14H11ClN4O/c15-11-5-8(7-16)1-3-13(11)19-12-4-2-9(17)6-10(12)14(18)20/h1-6,19H,17H2,(H2,18,20)
InChIKeyREKSGCMRQRVYAT-UHFFFAOYSA-N
XLogP2.64
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide
CID 107809746
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450
5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
CID 107807019
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
CID 107196343
3-amino-4-(2-chloro-4-cyanoanilino)benzoic acid
CID 107809752
5-amino-2-[(3-cyanophenyl)methylamino]benzamide
CID 62315337
4-(2-amino-4-fluoroanilino)-3-chlorobenzonitrile
CID 107806975
2-(2-chloro-4-cyanoanilino)-3-methylbutanamide
CID 106345598
2-(5-amino-2-chloroanilino)-5-nitrobenzamide
CID 61014850
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
CID 107807922
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108515972

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-4-cyanoanilino)benzamide?
The IUPAC name of 5-amino-2-(2-chloro-4-cyanoanilino)benzamide (CID 107809740) is 5-amino-2-(2-chloro-4-cyanoanilino)benzamide.
What is the SMILES notation for 5-amino-2-(2-chloro-4-cyanoanilino)benzamide?
The canonical SMILES for 5-amino-2-(2-chloro-4-cyanoanilino)benzamide is N#Cc1ccc(Nc2ccc(N)cc2C(N)=O)c(Cl)c1.
What is the InChIKey of 5-amino-2-(2-chloro-4-cyanoanilino)benzamide?
The InChIKey is REKSGCMRQRVYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-5-8(7-16)1-3-13(11)19-12-4-2-9(17)6-10(12)14(18)20/h1-6,19H,17H2,(H2,18,20).
What are the key properties of 5-amino-2-(2-chloro-4-cyanoanilino)benzamide?
5-amino-2-(2-chloro-4-cyanoanilino)benzamide has a molecular weight of 286.72 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chloro-4-cyanoanilino)benzamide is sourced from PubChem (CID 107809740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).