3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide

C18H20N4O3 — CID 86821869

IUPAC3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
SMILESNC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C18H20N4O3/c19-18(24)21-14-4-1-3-13(11-14)17(23)20-15-5-2-6-16(12-15)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2,(H,20,23)(H3,19,21,24)
InChIKeyHQVYVLDHCARYLO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.27
Rot. Bonds4

About 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide

3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 86821869) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID86821869
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
SMILESNC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C18H20N4O3/c19-18(24)21-14-4-1-3-13(11-14)17(23)20-15-5-2-6-16(12-15)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2,(H,20,23)(H3,19,21,24)
InChIKeyHQVYVLDHCARYLO-UHFFFAOYSA-N
XLogP2.27
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
N-(3-morpholin-4-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 67061305
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
4-(1,3-dithiolan-2-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 75416504
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide (CID 86821869) is 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide is NC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is HQVYVLDHCARYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-18(24)21-14-4-1-3-13(11-14)17(23)20-15-5-2-6-16(12-15)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2,(H,20,23)(H3,19,21,24).
What are the key properties of 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide?
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 86821869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).