N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide

C24H19BrN2O5 — CID 17117544

IUPACN-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3c(Br)c2OC)ccc1NC(=O)c1ccco1
InChIInChI=1S/C24H19BrN2O5/c1-30-20-13-15(9-10-18(20)27-24(29)19-8-5-11-32-19)26-23(28)17-12-14-6-3-4-7-16(14)21(25)22(17)31-2/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyPLKKLPDOQIWHEW-UHFFFAOYSA-N
MW495.33 g/mol
LogP5.72
Rot. Bonds6

About N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide

N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 17117544) has the molecular formula C24H19BrN2O5 and a molecular weight of 495.33 g/mol. Its IUPAC name is N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide
PubChem CID17117544
Molecular FormulaC24H19BrN2O5
Molecular Weight495.33 g/mol
Exact Mass494.05
IUPAC NameN-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3c(Br)c2OC)ccc1NC(=O)c1ccco1
InChIInChI=1S/C24H19BrN2O5/c1-30-20-13-15(9-10-18(20)27-24(29)19-8-5-11-32-19)26-23(28)17-12-14-6-3-4-7-16(14)21(25)22(17)31-2/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyPLKKLPDOQIWHEW-UHFFFAOYSA-N
XLogP5.72
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.33
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127364
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
methyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 1258829
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 28668842
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1015959
4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 17117485
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
CID 17111249
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
4-bromo-3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide
CID 17163355

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide (CID 17117544) is N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2cc3ccccc3c(Br)c2OC)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is PLKKLPDOQIWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O5/c1-30-20-13-15(9-10-18(20)27-24(29)19-8-5-11-32-19)26-23(28)17-12-14-6-3-4-7-16(14)21(25)22(17)31-2/h3-13H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 495.33 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 17117544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).