N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

C18H17ClFN3O3 — CID 8977916

IUPACN-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H17ClFN3O3/c19-15-9-14(23(25)26)7-8-17(15)21-18(24)11-22(13-5-6-13)10-12-3-1-2-4-16(12)20/h1-4,7-9,13H,5-6,10-11H2,(H,21,24)
InChIKeyALSQNPDPVJNDBV-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.99
Rot. Bonds7

About N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (PubChem CID 8977916) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
PubChem CID8977916
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H17ClFN3O3/c19-15-9-14(23(25)26)7-8-17(15)21-18(24)11-22(13-5-6-13)10-12-3-1-2-4-16(12)20/h1-4,7-9,13H,5-6,10-11H2,(H,21,24)
InChIKeyALSQNPDPVJNDBV-UHFFFAOYSA-N
XLogP3.99
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-chloro-4-methylphenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977549
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8977885
N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977667
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
N-(2-chloro-4-nitrophenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567777
2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 8587517
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 78827920
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (CID 8977916) is N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is O=C(CN(Cc1ccccc1F)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The InChIKey is ALSQNPDPVJNDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c19-15-9-14(23(25)26)7-8-17(15)21-18(24)11-22(13-5-6-13)10-12-3-1-2-4-16(12)20/h1-4,7-9,13H,5-6,10-11H2,(H,21,24).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide has a molecular weight of 377.80 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 8977916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).