N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide

C23H18N2O3 — CID 17251986

IUPACN-[4-(benzylamino)-2-oxochromen-3-yl]benzamide
SMILESO=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C23H18N2O3/c26-22(17-11-5-2-6-12-17)25-21-20(24-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)28-23(21)27/h1-14,24H,15H2,(H,25,26)
InChIKeyFEMZLYWHKOXCSP-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.66
Rot. Bonds5

About N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide

N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide (PubChem CID 17251986) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-2-oxochromen-3-yl]benzamide
PubChem CID17251986
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-[4-(benzylamino)-2-oxochromen-3-yl]benzamide
SMILESO=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C23H18N2O3/c26-22(17-11-5-2-6-12-17)25-21-20(24-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)28-23(21)27/h1-14,24H,15H2,(H,25,26)
InChIKeyFEMZLYWHKOXCSP-UHFFFAOYSA-N
XLogP4.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4,5-trimethoxybenzamide
CID 17252005
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4-dimethoxybenzamide
CID 17252009
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide
CID 17251997
1-[4-(benzylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 50763402
ethyl 4-(benzylamino)-2-oxochromene-3-carboxylate
CID 170872042
N-[4-(benzylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 50778782
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 50778708
N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
CID 135024757
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
CID 22432408
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
1-[(2S)-butan-2-yl]-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 35396976

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide?
The IUPAC name of N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide (CID 17251986) is N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide.
What is the SMILES notation for N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide?
The canonical SMILES for N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide is O=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide?
The InChIKey is FEMZLYWHKOXCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-22(17-11-5-2-6-12-17)25-21-20(24-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)28-23(21)27/h1-14,24H,15H2,(H,25,26).
What are the key properties of N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide?
N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide is sourced from PubChem (CID 17251986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).