(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide

C14H20ClN3O2 — CID 40803430

IUPAC(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
SMILESC[C@@H](Cl)C(=O)NCCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C14H20ClN3O2/c1-10(15)14(20)16-9-8-13(19)17-11-4-6-12(7-5-11)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,19)/t10-/m1/s1
InChIKeyGHMOWNFNWRFNKR-SNVBAGLBSA-N
MW297.79 g/mol
LogP1.82
Rot. Bonds6

About (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide

(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide (PubChem CID 40803430) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
PubChem CID40803430
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
SMILESC[C@@H](Cl)C(=O)NCCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C14H20ClN3O2/c1-10(15)14(20)16-9-8-13(19)17-11-4-6-12(7-5-11)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,19)/t10-/m1/s1
InChIKeyGHMOWNFNWRFNKR-SNVBAGLBSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-N-[3-(4-methylanilino)-3-oxopropyl]propanamide
CID 40803222
N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012874
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919913
3-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038822
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
CID 86901166
2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide
CID 139650052

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide (CID 40803430) is (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide is C[C@@H](Cl)C(=O)NCCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide?
The InChIKey is GHMOWNFNWRFNKR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10(15)14(20)16-9-8-13(19)17-11-4-6-12(7-5-11)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide?
(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide has a molecular weight of 297.79 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide is sourced from PubChem (CID 40803430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).