N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide

C24H20N4O2 — CID 123924550

IUPACN-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide
SMILES[H]/N=C(\c1cccc(C(N)=O)c1)c1cc(NC(=O)C2=CCc3ccccc32)ccc1N
InChIInChI=1S/C24H20N4O2/c25-21-11-9-17(28-24(30)19-10-8-14-4-1-2-7-18(14)19)13-20(21)22(26)15-5-3-6-16(12-15)23(27)29/h1-7,9-13,26H,8,25H2,(H2,27,29)(H,28,30)/b26-22+
InChIKeyKXBFLQLWFDGWQR-XTCLZLMSSA-N
MW396.45 g/mol
LogP3.36
Rot. Bonds5

About N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide

N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide (PubChem CID 123924550) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide
PubChem CID123924550
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide
SMILES[H]/N=C(\c1cccc(C(N)=O)c1)c1cc(NC(=O)C2=CCc3ccccc32)ccc1N
InChIInChI=1S/C24H20N4O2/c25-21-11-9-17(28-24(30)19-10-8-14-4-1-2-7-18(14)19)13-20(21)22(26)15-5-3-6-16(12-15)23(27)29/h1-7,9-13,26H,8,25H2,(H2,27,29)(H,28,30)/b26-22+
InChIKeyKXBFLQLWFDGWQR-XTCLZLMSSA-N
XLogP3.36
TPSA122.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
2-[3-[2-amino-5-(N'-methanimidoylcarbamimidoyl)benzenecarboximidoyl]anilino]-2-oxoacetic acid
CID 142958219
(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide
CID 155134088
N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen
CID 155698794
N-[3-[2-amino-5-[(2-amino-1,3-diazabicyclo[4.1.0]hepta-2,4-dien-6-yl)amino]benzenecarboximidoyl]phenyl]acetamide
CID 143557436
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
CID 155481992
3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
4-amino-N'-methanimidoyl-3-[3-(methylamino)benzenecarboximidoyl]benzenecarboximidamide
CID 142958227
N-[4-amino-3-(3-cyclopropylbenzenecarboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482000
4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
CID 142112568
2-(benzenecarboximidoyl)-4-N-(3-phenylphenyl)sulfanylbenzene-1,4-diamine
CID 142806416
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide?
The IUPAC name of N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide (CID 123924550) is N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide.
What is the SMILES notation for N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide?
The canonical SMILES for N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide is [H]/N=C(\c1cccc(C(N)=O)c1)c1cc(NC(=O)C2=CCc3ccccc32)ccc1N.
What is the InChIKey of N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide?
The InChIKey is KXBFLQLWFDGWQR-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H20N4O2/c25-21-11-9-17(28-24(30)19-10-8-14-4-1-2-7-18(14)19)13-20(21)22(26)15-5-3-6-16(12-15)23(27)29/h1-7,9-13,26H,8,25H2,(H2,27,29)(H,28,30)/b26-22+.
What are the key properties of N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide?
N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(3-carbamoylbenzenecarboximidoyl)phenyl]-3H-indene-1-carboxamide is sourced from PubChem (CID 123924550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).