(3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide

C17H21ClN2O3 — CID 97232876

IUPAC(3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide
SMILESC[C@H](CC(=O)Nc1ccc(Cl)cc1)NC[C@@](C)(O)c1ccco1
InChIInChI=1S/C17H21ClN2O3/c1-12(19-11-17(2,22)15-4-3-9-23-15)10-16(21)20-14-7-5-13(18)6-8-14/h3-9,12,19,22H,10-11H2,1-2H3,(H,20,21)/t12-,17-/m1/s1
InChIKeyGTUPUUUYLQAWML-SJKOYZFVSA-N
MW336.82 g/mol
LogP3.15
Rot. Bonds7

About (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide

(3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide (PubChem CID 97232876) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide
PubChem CID97232876
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name(3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide
SMILESC[C@H](CC(=O)Nc1ccc(Cl)cc1)NC[C@@](C)(O)c1ccco1
InChIInChI=1S/C17H21ClN2O3/c1-12(19-11-17(2,22)15-4-3-9-23-15)10-16(21)20-14-7-5-13(18)6-8-14/h3-9,12,19,22H,10-11H2,1-2H3,(H,20,21)/t12-,17-/m1/s1
InChIKeyGTUPUUUYLQAWML-SJKOYZFVSA-N
XLogP3.15
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide with MolForge

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Related Compounds

1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893
1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111478745
2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide
CID 111520232
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 95983710
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
(3S)-N-(4-chlorophenyl)-3-[2-(2-hydroxyethoxy)ethylamino]butanamide
CID 41119164

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide (CID 97232876) is (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide is C[C@H](CC(=O)Nc1ccc(Cl)cc1)NC[C@@](C)(O)c1ccco1.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide?
The InChIKey is GTUPUUUYLQAWML-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-12(19-11-17(2,22)15-4-3-9-23-15)10-16(21)20-14-7-5-13(18)6-8-14/h3-9,12,19,22H,10-11H2,1-2H3,(H,20,21)/t12-,17-/m1/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide?
(3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide has a molecular weight of 336.82 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide is sourced from PubChem (CID 97232876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).