6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide

C16H17BrN2O2 — CID 115354184

IUPAC6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H17BrN2O2/c1-21-15-9-18-8-14(15)19-16(20)12-3-2-11-7-13(17)5-4-10(11)6-12/h2-7,14-15,18H,8-9H2,1H3,(H,19,20)/t14?,15-/m0/s1
InChIKeyAKFAQCYRGDXAFM-LOACHALJSA-N
MW349.23 g/mol
LogP2.32
Rot. Bonds3

About 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide

6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide (PubChem CID 115354184) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
PubChem CID115354184
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H17BrN2O2/c1-21-15-9-18-8-14(15)19-16(20)12-3-2-11-7-13(17)5-4-10(11)6-12/h2-7,14-15,18H,8-9H2,1H3,(H,19,20)/t14?,15-/m0/s1
InChIKeyAKFAQCYRGDXAFM-LOACHALJSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 43594014
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
CID 76975241
4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-nitrobenzamide
CID 43594209
N-(4-methoxypyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 74883497
5-chloro-N-(4-methoxypyrrolidin-3-yl)furan-2-carboxamide
CID 74883276
acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
CID 154910821
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131
2-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113357096
methyl 2-bromo-3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 103492380
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 43594183

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide (CID 115354184) is 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide is CO[C@H]1CNCC1NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is AKFAQCYRGDXAFM-LOACHALJSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-15-9-18-8-14(15)19-16(20)12-3-2-11-7-13(17)5-4-10(11)6-12/h2-7,14-15,18H,8-9H2,1H3,(H,19,20)/t14?,15-/m0/s1.
What are the key properties of 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide?
6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 115354184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).