N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide

C15H14N4O — CID 82486997

IUPACN-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C#N)cc2N)cc1
InChIInChI=1S/C15H14N4O/c1-10(20)18-12-3-5-13(6-4-12)19-15-7-2-11(9-16)8-14(15)17/h2-8,19H,17H2,1H3,(H,18,20)
InChIKeyUGRDLFUJBDPNEW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.84
Rot. Bonds3

About N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide

N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide (PubChem CID 82486997) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
PubChem CID82486997
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C#N)cc2N)cc1
InChIInChI=1S/C15H14N4O/c1-10(20)18-12-3-5-13(6-4-12)19-15-7-2-11(9-16)8-14(15)17/h2-8,19H,17H2,1H3,(H,18,20)
InChIKeyUGRDLFUJBDPNEW-UHFFFAOYSA-N
XLogP2.84
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.84
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

3-amino-4-(4-bromoanilino)benzonitrile
CID 43518114
3-amino-4-(pyridin-4-ylamino)benzonitrile
CID 115127397
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
methyl 2-(2-amino-4-cyanoanilino)benzoate
CID 82487262
4-(2-amino-4-chloroanilino)benzonitrile
CID 29067290
3-amino-4-(2-methylanilino)benzonitrile
CID 43518137
3-amino-4-(4-bromo-3-fluoroanilino)benzonitrile
CID 65436660
3-amino-4-fluorobenzonitrile;N-(5-cyano-2-fluorophenyl)acetamide
CID 158537950
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
CID 78965600
propan-2-yl N-(2-amino-4-cyanophenyl)carbamate
CID 78965446
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide?
The IUPAC name of N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide (CID 82486997) is N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccc(C#N)cc2N)cc1.
What is the InChIKey of N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide?
The InChIKey is UGRDLFUJBDPNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(20)18-12-3-5-13(6-4-12)19-15-7-2-11(9-16)8-14(15)17/h2-8,19H,17H2,1H3,(H,18,20).
What are the key properties of N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide?
N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide is sourced from PubChem (CID 82486997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).