N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide

C18H20BrN3O3 — CID 78892736

IUPACN-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C18H20BrN3O3/c1-12-3-6-14(11-16(12)19)22-18(24)21-10-9-20-17(23)13-4-7-15(25-2)8-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyFDJZUBBTSXDPJC-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.32
Rot. Bonds6

About N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide

N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide (PubChem CID 78892736) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
PubChem CID78892736
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC NameN-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C18H20BrN3O3/c1-12-3-6-14(11-16(12)19)22-18(24)21-10-9-20-17(23)13-4-7-15(25-2)8-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyFDJZUBBTSXDPJC-UHFFFAOYSA-N
XLogP3.32
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-3-methoxybenzamide
CID 78874679
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide
CID 55836968
N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 56557423
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
CID 55818884

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide (CID 78892736) is N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The InChIKey is FDJZUBBTSXDPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-12-3-6-14(11-16(12)19)22-18(24)21-10-9-20-17(23)13-4-7-15(25-2)8-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide has a molecular weight of 406.28 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 78892736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).