N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide

C18H18ClN3O4 — CID 7409532

IUPACN-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C18H18ClN3O4/c19-14-3-1-2-13(10-14)12-20-18(23)16-11-15(22(24)25)4-5-17(16)21-6-8-26-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,23)
InChIKeyKTIGBBKWRGOWKE-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.01
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide

N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 7409532) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID7409532
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C18H18ClN3O4/c19-14-3-1-2-13(10-14)12-20-18(23)16-11-15(22(24)25)4-5-17(16)21-6-8-26-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,23)
InChIKeyKTIGBBKWRGOWKE-UHFFFAOYSA-N
XLogP3.01
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-morpholin-4-yl-5-nitrobenzamide
CID 18080018
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55595517
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 55595706
2-morpholin-4-yl-5-nitro-N-pentylbenzamide
CID 29196205
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
(3-chlorophenyl)-[4-(2-morpholin-4-yl-5-nitrobenzoyl)piperazin-1-yl]methanone
CID 55545692
5-nitro-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 60556393
N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55600348
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
N-benzyl-2-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16559640
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 7409532) is N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide is O=C(NCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is KTIGBBKWRGOWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-14-3-1-2-13(10-14)12-20-18(23)16-11-15(22(24)25)4-5-17(16)21-6-8-26-9-7-21/h1-5,10-11H,6-9,12H2,(H,20,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 375.81 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 7409532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).