N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide

C19H21ClN2O3 — CID 1313437

IUPACN-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-7-18(23)21-16-10-4-5-11-17(16)22-19(24)13(2)25-15-9-6-8-14(20)12-15/h4-6,8-13H,3,7H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyCOGXEKFTKRSVDT-CYBMUJFWSA-N
MW360.84 g/mol
LogP4.48
Rot. Bonds7

About N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide

N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide (PubChem CID 1313437) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide
PubChem CID1313437
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-7-18(23)21-16-10-4-5-11-17(16)22-19(24)13(2)25-15-9-6-8-14(20)12-15/h4-6,8-13H,3,7H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyCOGXEKFTKRSVDT-CYBMUJFWSA-N
XLogP4.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2R)-2-phenoxypropanoyl]amino]phenyl]butanamide
CID 1255249
N-[2-(2-phenoxypropanoylamino)phenyl]butanamide
CID 2977242
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide?
The IUPAC name of N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide (CID 1313437) is N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide?
The canonical SMILES for N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide?
The InChIKey is COGXEKFTKRSVDT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-7-18(23)21-16-10-4-5-11-17(16)22-19(24)13(2)25-15-9-6-8-14(20)12-15/h4-6,8-13H,3,7H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide?
N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide has a molecular weight of 360.84 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide is sourced from PubChem (CID 1313437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).