4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide

C21H22N4O5 — CID 55797008

IUPAC4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H22N4O5/c26-20(14-4-7-18(22-16-5-6-16)19(13-14)25(28)29)23-17-3-1-2-15(12-17)21(27)24-8-10-30-11-9-24/h1-4,7,12-13,16,22H,5-6,8-11H2,(H,23,26)
InChIKeyLIEUQVOXSUSIHU-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.89
Rot. Bonds6

About 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide

4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide (PubChem CID 55797008) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
PubChem CID55797008
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H22N4O5/c26-20(14-4-7-18(22-16-5-6-16)19(13-14)25(28)29)23-17-3-1-2-15(12-17)21(27)24-8-10-30-11-9-24/h1-4,7,12-13,16,22H,5-6,8-11H2,(H,23,26)
InChIKeyLIEUQVOXSUSIHU-UHFFFAOYSA-N
XLogP2.89
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797364
morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone
CID 133320008
N-(3-cyanophenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 26727779
4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9151199
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
(4-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone;hydrochloride
CID 119374093
4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2948532
N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 54860042
4-(cyclopropylamino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 7892893
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone
CID 52724340
[4-(cyclopropylamino)-3-nitrophenyl]-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31057857
4-(cyclopropylamino)-N-[3-(diethylaminomethyl)phenyl]-3-nitrobenzamide
CID 46413061

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide (CID 55797008) is 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The InChIKey is LIEUQVOXSUSIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c26-20(14-4-7-18(22-16-5-6-16)19(13-14)25(28)29)23-17-3-1-2-15(12-17)21(27)24-8-10-30-11-9-24/h1-4,7,12-13,16,22H,5-6,8-11H2,(H,23,26).
What are the key properties of 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide has a molecular weight of 410.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 55797008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).