N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C16H19BrN2O3 — CID 108973184

IUPACN-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C(=O)N3CCOCC3)CC2)ccc1Br
InChIInChI=1S/C16H19BrN2O3/c1-11-10-12(2-3-13(11)17)18-14(20)16(4-5-16)15(21)19-6-8-22-9-7-19/h2-3,10H,4-9H2,1H3,(H,18,20)
InChIKeyVSSHDRSFVUCHNR-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.34
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108973184) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID108973184
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC NameN-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C(=O)N3CCOCC3)CC2)ccc1Br
InChIInChI=1S/C16H19BrN2O3/c1-11-10-12(2-3-13(11)17)18-14(20)16(4-5-16)15(21)19-6-8-22-9-7-19/h2-3,10H,4-9H2,1H3,(H,18,20)
InChIKeyVSSHDRSFVUCHNR-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973116
N-(3,5-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973117
N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973161
N-(3,5-dichlorophenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973199
N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973141
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972102
1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971910
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 108973184) is N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(C(=O)N3CCOCC3)CC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is VSSHDRSFVUCHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-11-10-12(2-3-13(11)17)18-14(20)16(4-5-16)15(21)19-6-8-22-9-7-19/h2-3,10H,4-9H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108973184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).