(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide

C14H18ClN3O5 — CID 8587785

IUPAC(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H18ClN3O5/c1-3-6-16-14(20)9(2)17-13(19)8-23-12-5-4-10(18(21)22)7-11(12)15/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,20)(H,17,19)/t9-/m1/s1
InChIKeyZOQIWQSFVXHPHU-SECBINFHSA-N
MW343.77 g/mol
LogP1.66
Rot. Bonds8

About (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide

(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide (PubChem CID 8587785) has the molecular formula C14H18ClN3O5 and a molecular weight of 343.77 g/mol. Its IUPAC name is (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
PubChem CID8587785
Molecular FormulaC14H18ClN3O5
Molecular Weight343.77 g/mol
Exact Mass343.09
IUPAC Name(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H18ClN3O5/c1-3-6-16-14(20)9(2)17-13(19)8-23-12-5-4-10(18(21)22)7-11(12)15/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,20)(H,17,19)/t9-/m1/s1
InChIKeyZOQIWQSFVXHPHU-SECBINFHSA-N
XLogP1.66
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8587936
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 7866109
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 8587948
2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 7509223
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
2-(2-chloro-4-nitrophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18192310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide (CID 8587785) is (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide?
The InChIKey is ZOQIWQSFVXHPHU-SECBINFHSA-N. The full InChI is InChI=1S/C14H18ClN3O5/c1-3-6-16-14(20)9(2)17-13(19)8-23-12-5-4-10(18(21)22)7-11(12)15/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,20)(H,17,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide?
(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide has a molecular weight of 343.77 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 8587785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).