N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide

C20H22BrN3O3 — CID 60524682

IUPACN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc1
InChIInChI=1S/C20H22BrN3O3/c21-16-3-1-2-15(12-16)20(8-10-27-11-9-20)13-23-18(25)14-4-6-17(7-5-14)24-19(22)26/h1-7,12H,8-11,13H2,(H,23,25)(H3,22,24,26)
InChIKeyVMUHJXDSGJDFLS-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide (PubChem CID 60524682) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide
PubChem CID60524682
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc1
InChIInChI=1S/C20H22BrN3O3/c21-16-3-1-2-15(12-16)20(8-10-27-11-9-20)13-23-18(25)14-4-6-17(7-5-14)24-19(22)26/h1-7,12H,8-11,13H2,(H,23,25)(H3,22,24,26)
InChIKeyVMUHJXDSGJDFLS-UHFFFAOYSA-N
XLogP3.42
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3,4-diethoxybenzamide
CID 60524869
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methylsulfonylbenzamide
CID 55889890
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
CID 55865048
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-methylthiophene-2-carboxamide
CID 55865433
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51120737
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2,4-dichloro-5-fluorobenzamide
CID 60524831
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 52737912
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-1-benzofuran-2-carboxamide
CID 55862229
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 55863240

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide?
The IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide (CID 60524682) is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide.
What is the SMILES notation for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide?
The canonical SMILES for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide is NC(=O)Nc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide?
The InChIKey is VMUHJXDSGJDFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c21-16-3-1-2-15(12-16)20(8-10-27-11-9-20)13-23-18(25)14-4-6-17(7-5-14)24-19(22)26/h1-7,12H,8-11,13H2,(H,23,25)(H3,22,24,26).
What are the key properties of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide?
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide has a molecular weight of 432.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide is sourced from PubChem (CID 60524682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).