N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide

C20H19BrN2O4 — CID 55878636

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCC(=O)Nc1ccc(Br)cc1)=C2
InChIInChI=1S/C20H19BrN2O4/c1-2-26-17-5-3-4-13-10-14(12-27-19(13)17)20(25)22-11-18(24)23-16-8-6-15(21)7-9-16/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyIGPKDUWSKJNXGP-UHFFFAOYSA-N
MW431.29 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide

N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide (PubChem CID 55878636) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
PubChem CID55878636
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCC(=O)Nc1ccc(Br)cc1)=C2
InChIInChI=1S/C20H19BrN2O4/c1-2-26-17-5-3-4-13-10-14(12-27-19(13)17)20(25)22-11-18(24)23-16-8-6-15(21)7-9-16/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyIGPKDUWSKJNXGP-UHFFFAOYSA-N
XLogP3.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 51122093
8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide
CID 51127392
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 86822503
8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CID 55759184
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
8-ethoxy-N-[furan-2-yl(phenyl)methyl]-2H-chromene-3-carboxamide
CID 55759749
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
(8-ethoxy-2H-chromen-3-yl)methanol
CID 103351446
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide (CID 55878636) is N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)NCC(=O)Nc1ccc(Br)cc1)=C2.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide?
The InChIKey is IGPKDUWSKJNXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c1-2-26-17-5-3-4-13-10-14(12-27-19(13)17)20(25)22-11-18(24)23-16-8-6-15(21)7-9-16/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 55878636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).