N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

C16H18BrN3O3 — CID 52710574

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESC[C@H](NC(=O)CNC(=O)NCc1ccco1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrN3O3/c1-11(12-4-2-5-13(17)8-12)20-15(21)10-19-16(22)18-9-14-6-3-7-23-14/h2-8,11H,9-10H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1
InChIKeyYRIDDSPZZGVKOS-NSHDSACASA-N
MW380.24 g/mol
LogP2.72
Rot. Bonds6

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (PubChem CID 52710574) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
PubChem CID52710574
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESC[C@H](NC(=O)CNC(=O)NCc1ccco1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrN3O3/c1-11(12-4-2-5-13(17)8-12)20-15(21)10-19-16(22)18-9-14-6-3-7-23-14/h2-8,11H,9-10H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1
InChIKeyYRIDDSPZZGVKOS-NSHDSACASA-N
XLogP2.72
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea
CID 55629678
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
(2S)-2-amino-N-[2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82964432
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841912
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (CID 52710574) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is C[C@H](NC(=O)CNC(=O)NCc1ccco1)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The InChIKey is YRIDDSPZZGVKOS-NSHDSACASA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-11(12-4-2-5-13(17)8-12)20-15(21)10-19-16(22)18-9-14-6-3-7-23-14/h2-8,11H,9-10H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide has a molecular weight of 380.24 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 52710574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).