N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide

C16H18BrN3O3 — CID 86994844

IUPACN-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)N(C)Cc2ccc(Br)o2)ccc1C
InChIInChI=1S/C16H18BrN3O3/c1-10-4-5-12(8-14(10)18-11(2)21)19-16(22)20(3)9-13-6-7-15(17)23-13/h4-8H,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLVAKCNFTPGCSQR-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.97
Rot. Bonds4

About N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide

N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide (PubChem CID 86994844) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide
PubChem CID86994844
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC NameN-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)N(C)Cc2ccc(Br)o2)ccc1C
InChIInChI=1S/C16H18BrN3O3/c1-10-4-5-12(8-14(10)18-11(2)21)19-16(22)20(3)9-13-6-7-15(17)23-13/h4-8H,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLVAKCNFTPGCSQR-UHFFFAOYSA-N
XLogP3.97
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
CID 78871745
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192722
1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47198462
methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 87010073
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 86995112
N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
CID 60764727
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-pentylurea
CID 86998900
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 71690396
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]benzoic acid
CID 61198276
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 43526496

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide (CID 86994844) is N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NC(=O)N(C)Cc2ccc(Br)o2)ccc1C.
What is the InChIKey of N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide?
The InChIKey is LVAKCNFTPGCSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-10-4-5-12(8-14(10)18-11(2)21)19-16(22)20(3)9-13-6-7-15(17)23-13/h4-8H,9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide?
N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide has a molecular weight of 380.24 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 86994844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).